CBKinase1_002530
TL;DR: CBKinase1_002530 (CAS 332931-97-2) is a chemical compound with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_002530, CBKinase1_014930, BAS 01906615, BRD-K70889689-001-01-2, ethyl 4-({[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C22H23N3O4S2 |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 3.7813 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.113 |
| Heavy Atoms | 31 |
| Complexity | 1198.1718 |
Chemical Identifiers
| CAS Number | 332931-97-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C |
Product Overview
CBKinase1_002530 (CAS 332931-97-2), with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol. IUPAC: ethyl 4-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_002530
Property Insights of CBKinase1_002530
The XLogP value of 3.7813 indicates that CBKinase1_002530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002530. Following Lipinski's Rule of Five, CBKinase1_002530 has 1 hydrogen bond donor(s) and 7 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_002530?
The CAS number of CBKinase1_002530 is 332931-97-2.
What is the molecular formula of CBKinase1_002530?
The molecular formula of CBKinase1_002530 is C22H23N3O4S2.
What is the molecular weight of CBKinase1_002530?
The molecular weight of CBKinase1_002530 is 457.11 g/mol.
Where can I buy CBKinase1_002530?
You can request a quote for CBKinase1_002530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002530?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.