Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate
TL;DR: Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate (CAS 307331-39-1) is a chemical compound with molecular formula C26H30N2O8 and molecular weight 498.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[10-(2-methoxycarbonylbenzoyl)-1,7-dioxa-4,10-diazacyclododecane-4-carbonyl]benzoate
Also Known As: BAS 00227580, dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate, dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyldicarbonyl)dibenzoate, methyl 2-[(7-{[2-(methoxycarbonyl)phenyl]carbonyl}-4,10-dioxa-1,7-diazacyclodo decyl)carbonyl]benzoate, methyl 2-[10-(2-methoxycarbonylbenzoyl)-1,7-dioxa-4,10-diazacyclododecane-4-carbonyl]benzoate
| Molecular Formula | C26H30N2O8 |
|---|---|
| Molecular Weight | 498.20 g/mol |
| LogP | 1.8912 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.20023 |
| Heavy Atoms | 36 |
| Complexity | 989.6188 |
Chemical Identifiers
| CAS Number | 307331-39-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C(=O)N2CCOCCN(CCOCC2)C(=O)C3=CC=CC=C3C(=O)OC |
Product Overview
Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate (CAS 307331-39-1), with molecular formula C26H30N2O8 and molecular weight 498.20 g/mol. IUPAC: methyl 2-[10-(2-methoxycarbonylbenzoyl)-1,7-dioxa-4,10-diazacyclododecane-4-carbonyl]benzoate.
Chemical Property Profile of Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate
Property Insights of Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate
The XLogP value of 1.8912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate. Following Lipinski's Rule of Five, Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate?
The CAS number of Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate is 307331-39-1.
What is the molecular formula of Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate?
The molecular formula of Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate is C26H30N2O8.
What is the molecular weight of Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate?
The molecular weight of Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate is 498.20 g/mol.
Where can I buy Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate?
You can request a quote for Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.