CBKinase1_000468
TL;DR: CBKinase1_000468 (CAS 406190-53-2) is a chemical compound with molecular formula C16H15ClN2O3S and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: CBKinase1_000468, CBKinase1_012868, BAS 04055050, AL-281/40679198, BRD-A68897600-001-01-7
| Molecular Formula | C16H15ClN2O3S |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 3.28048 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.0492 |
| Heavy Atoms | 23 |
| Complexity | 747.2419 |
Chemical Identifiers
| CAS Number | 406190-53-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)C3CC(=CCC3C(=O)O)Cl |
Product Overview
CBKinase1_000468 (CAS 406190-53-2), with molecular formula C16H15ClN2O3S and molecular weight 350.05 g/mol. IUPAC: 4-chloro-6-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of CBKinase1_000468
Property Insights of CBKinase1_000468
The XLogP value of 3.28048 indicates that CBKinase1_000468 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000468. Following Lipinski's Rule of Five, CBKinase1_000468 has 2 hydrogen bond donor(s) and 4 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_000468?
The CAS number of CBKinase1_000468 is 406190-53-2.
What is the molecular formula of CBKinase1_000468?
The molecular formula of CBKinase1_000468 is C16H15ClN2O3S.
What is the molecular weight of CBKinase1_000468?
The molecular weight of CBKinase1_000468 is 350.05 g/mol.
Where can I buy CBKinase1_000468?
You can request a quote for CBKinase1_000468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000468?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.