Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
TL;DR: Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) (CAS 139973-20-9) is a chemical compound with molecular formula C42H52N2O10 and molecular weight 744.3622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3aR,8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-nonan-3-ylcarbamate;(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
Also Known As: Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1), Butanedioic acid, 2,3-bis((4-methylbenzoyl)oxy)-, (R-(R*,R*))-, compd. with (3aS-cis)-1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl heptylcarbamate (1:1), (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(3aS,8aR)-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hydrogen nonan-3-ylcarbonimidate (1/1), [(3aR,8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-nonan-3-ylcarbamate; (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid, 2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hydrogen nonan-3-ylcarbonimidate (1/1)
Technical Specifications
| Molecular Formula | C42H52N2O10 |
| Molecular Weight | 744.3622 g/mol |
| XLogP | 6.92334 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 744.3622 Da |
| Heavy Atoms | 54 |
| Complexity | 1000.0 |
| SMILES | CCCCCCC(CC)NC(=O)OC1=CC2=C(C[C@@H]3[C@]2(CCN3)C)C=C1.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O |
| InChIKey | SDAZVFKAVRJUML-XJDCPIKYSA-N |
Chemical Property Profile of Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
Property Insights of Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
The XLogP value of 6.92334 indicates that Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The CAS number of Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is 139973-20-9.
What is the molecular formula of Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The molecular formula of Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is C42H52N2O10.
What is the molecular weight of Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The molecular weight of Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is 744.3622 g/mol.
Where can I buy Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
You can request a quote for Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3as,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.