C20H30N2O2.C20H18O8.1/2H2O
TL;DR: C20H30N2O2.C20H18O8.1/2H2O (CAS 156693-31-1) is a chemical compound with molecular formula C40H48N2O10 and molecular weight 716.3309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;heptyl-(9-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)carbamic acid
Also Known As: C20H30N2O2.C20H18O8.1/2H2O, Carbamic acid, heptyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (2:2:1), C20-H30-N2-O2.C20-H18-O8.1/2H2-O, (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--heptyl(2-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)carbamic acid (1/1), 2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--heptyl(2-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)carbamic acid (1/1)
Technical Specifications
| Molecular Formula | C40H48N2O10 |
| Molecular Weight | 716.3309 g/mol |
| XLogP | 7.22894 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 716.3309 Da |
| Heavy Atoms | 52 |
| Complexity | 961.0 |
| SMILES | CCCCCCCN(C1=CC2=C(C=C1)C3CC2CCN3C)C(=O)O.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 | MYYVELJQDSDNOP-KEXUEBEXSA-N |
Chemical Property Profile of C20H30N2O2.C20H18O8.1/2H2O
Property Insights of C20H30N2O2.C20H18O8.1/2H2O
The XLogP value of 7.22894 indicates that C20H30N2O2.C20H18O8.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting C20H30N2O2.C20H18O8.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H30N2O2.C20H18O8.1/2H2O has 3 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 C20H30N2O2.C20H18O8.1/2H2O?
The CAS number of C20H30N2O2.C20H18O8.1/2H2O is 156693-31-1.
What is the molecular formula of C20H30N2O2.C20H18O8.1/2H2O?
The molecular formula of C20H30N2O2.C20H18O8.1/2H2O is C40H48N2O10.
What is the molecular weight of C20H30N2O2.C20H18O8.1/2H2O?
The molecular weight of C20H30N2O2.C20H18O8.1/2H2O is 716.3309 g/mol.
Where can I buy C20H30N2O2.C20H18O8.1/2H2O?
You can request a quote for C20H30N2O2.C20H18O8.1/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H30N2O2.C20H18O8.1/2H2O?
Yes, CoreyChem provides custom synthesis services for C20H30N2O2.C20H18O8.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.