CBKinase1_001232
TL;DR: CBKinase1_001232 (CAS 302802-61-5) is a chemical compound with molecular formula C20H21NO7S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: CBKinase1_001232, CBKinase1_013632, BAS 01292110, dimethyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, AF-399/13428133
| Molecular Formula | C20H21NO7S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 3.007 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.10388 |
| Heavy Atoms | 29 |
| Complexity | 965.9796 |
Chemical Identifiers
| CAS Number | 302802-61-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)OC |
Product Overview
CBKinase1_001232 (CAS 302802-61-5), with molecular formula C20H21NO7S and molecular weight 419.10 g/mol. IUPAC: dimethyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of CBKinase1_001232
Property Insights of CBKinase1_001232
The XLogP value of 3.007 indicates that CBKinase1_001232 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001232. Following Lipinski's Rule of Five, CBKinase1_001232 has 1 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 CBKinase1_001232?
The CAS number of CBKinase1_001232 is 302802-61-5.
What is the molecular formula of CBKinase1_001232?
The molecular formula of CBKinase1_001232 is C20H21NO7S.
What is the molecular weight of CBKinase1_001232?
The molecular weight of CBKinase1_001232 is 419.10 g/mol.
Where can I buy CBKinase1_001232?
You can request a quote for CBKinase1_001232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001232?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.