CBKinase1_001080
TL;DR: CBKinase1_001080 (CAS 302803-24-3) is a chemical compound with molecular formula C18H18ClNO4S and molecular weight 379.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_001080, CBKinase1_013480, AF-399/13428278, BRD-K68723753-001-01-8, methyl 2-{[(4-chloro-3-methylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C18H18ClNO4S |
|---|---|
| Molecular Weight | 379.06 g/mol |
| LogP | 4.00272 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.0645 |
| Heavy Atoms | 25 |
| Complexity | 830.7238 |
Chemical Identifiers
| CAS Number | 302803-24-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Cl |
Product Overview
CBKinase1_001080 (CAS 302803-24-3), with molecular formula C18H18ClNO4S and molecular weight 379.06 g/mol. IUPAC: methyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_001080
Property Insights of CBKinase1_001080
The XLogP value of 4.00272 indicates that CBKinase1_001080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001080. Following Lipinski's Rule of Five, CBKinase1_001080 has 1 hydrogen bond donor(s) and 5 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_001080?
The CAS number of CBKinase1_001080 is 302803-24-3.
What is the molecular formula of CBKinase1_001080?
The molecular formula of CBKinase1_001080 is C18H18ClNO4S.
What is the molecular weight of CBKinase1_001080?
The molecular weight of CBKinase1_001080 is 379.06 g/mol.
Where can I buy CBKinase1_001080?
You can request a quote for CBKinase1_001080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001080?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.