CBKinase1_001077
TL;DR: CBKinase1_001077 (CAS 357932-80-0) is a chemical compound with molecular formula C24H25NO5S and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: CBKinase1_001077, CBKinase1_013477, BRD-A96139785-001-01-7, 6-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, benzo[b]thiophene-3-carboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4,5,6,7-tetrahydro-6-phenyl-, 3-methyl ester
| Molecular Formula | C24H25NO5S |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 4.4127 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.14536 |
| Heavy Atoms | 31 |
| Complexity | 1026.0907 |
Chemical Identifiers
| CAS Number | 357932-80-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4CC=CCC4C(=O)O |
Product Overview
CBKinase1_001077 (CAS 357932-80-0), with molecular formula C24H25NO5S and molecular weight 439.15 g/mol. IUPAC: 6-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of CBKinase1_001077
Property Insights of CBKinase1_001077
The XLogP value of 4.4127 indicates that CBKinase1_001077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001077. Following Lipinski's Rule of Five, CBKinase1_001077 has 2 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_001077?
The CAS number of CBKinase1_001077 is 357932-80-0.
What is the molecular formula of CBKinase1_001077?
The molecular formula of CBKinase1_001077 is C24H25NO5S.
What is the molecular weight of CBKinase1_001077?
The molecular weight of CBKinase1_001077 is 439.15 g/mol.
Where can I buy CBKinase1_001077?
You can request a quote for CBKinase1_001077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001077?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.