CBKinase1_001236
TL;DR: CBKinase1_001236 (CAS 302802-67-1) is a chemical compound with molecular formula C21H17NO7S and molecular weight 427.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: CBKinase1_001236, CBKinase1_013636, BAS 01292123, BIM-0039941.P001, AF-399/13428143
| Molecular Formula | C21H17NO7S |
|---|---|
| Molecular Weight | 427.07 g/mol |
| LogP | 3.0962 |
| Topological Polar Surface Area | 111.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.07257 |
| Heavy Atoms | 30 |
| Complexity | 1239.871 |
Chemical Identifiers
| CAS Number | 302802-67-1 |
|---|---|
| SMILES | COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C(=O)OC |
Product Overview
CBKinase1_001236 (CAS 302802-67-1), with molecular formula C21H17NO7S and molecular weight 427.07 g/mol. IUPAC: dimethyl 2-[(2-oxochromene-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of CBKinase1_001236
Property Insights of CBKinase1_001236
The XLogP value of 3.0962 indicates that CBKinase1_001236 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.91 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001236. Following Lipinski's Rule of Five, CBKinase1_001236 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_001236?
The CAS number of CBKinase1_001236 is 302802-67-1.
What is the molecular formula of CBKinase1_001236?
The molecular formula of CBKinase1_001236 is C21H17NO7S.
What is the molecular weight of CBKinase1_001236?
The molecular weight of CBKinase1_001236 is 427.07 g/mol.
Where can I buy CBKinase1_001236?
You can request a quote for CBKinase1_001236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001236?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.