C22H34N2O2.C20H18O8.1/2H2O
TL;DR: C22H34N2O2.C20H18O8.1/2H2O (CAS 156693-30-0) 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.
(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;(9-ethyl-1-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)-heptylcarbamic acid
Also Known As: C22H34N2O2.C20H18O8.1/2H2O, Carbamic acid, heptyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate, hydrate (2:2:1), C22-H34-N2-O2.C20-H18-O8.1/2H2-O, (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(2-ethyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)(heptyl)carbamic acid (1/1), 2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(2-ethyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl)heptylcarbamic acid (1/1)
Technical Specifications
| Molecular Formula | C42H52N2O10 |
| Molecular Weight | 744.3622 g/mol |
| XLogP | 7.79314 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 744.3622 Da |
| Heavy Atoms | 54 |
| Complexity | 1020.0 |
| SMILES | CCCCCCCN(C1=CC2=C(C=C1)C3CC2(CCN3CC)C)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 | HCIOVTRJOUCIRG-KEXUEBEXSA-N |
Chemical Property Profile of C22H34N2O2.C20H18O8.1/2H2O
Property Insights of C22H34N2O2.C20H18O8.1/2H2O
The XLogP value of 7.79314 indicates that C22H34N2O2.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 C22H34N2O2.C20H18O8.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H34N2O2.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 C22H34N2O2.C20H18O8.1/2H2O?
The CAS number of C22H34N2O2.C20H18O8.1/2H2O is 156693-30-0.
What is the molecular formula of C22H34N2O2.C20H18O8.1/2H2O?
The molecular formula of C22H34N2O2.C20H18O8.1/2H2O is C42H52N2O10.
What is the molecular weight of C22H34N2O2.C20H18O8.1/2H2O?
The molecular weight of C22H34N2O2.C20H18O8.1/2H2O is 744.3622 g/mol.
Where can I buy C22H34N2O2.C20H18O8.1/2H2O?
You can request a quote for C22H34N2O2.C20H18O8.1/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H34N2O2.C20H18O8.1/2H2O?
Yes, CoreyChem provides custom synthesis services for C22H34N2O2.C20H18O8.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.