CBKinase1_012255
TL;DR: CBKinase1_012255 (CAS 864935-33-1) is a chemical compound with molecular formula C19H21ClN4O3S2 and molecular weight 452.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methylsulfanyl-N-[3-(oxolan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide
Also Known As: CBKinase1_012255, CBKinase1_024655, BRD-A52809538-001-01-7, 5-chloro-2-methylsulfanyl-N-[3-(oxolan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide, 5-CHLORO-2-(METHYLSULFANYL)-N-(3-{[(OXOLAN-2-YL)METHYL]CARBAMOYL}-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL)PYRIMIDINE-4-CARBOXAMIDE
| Molecular Formula | C19H21ClN4O3S2 |
|---|---|
| Molecular Weight | 452.07 g/mol |
| LogP | 3.5632 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.07437 |
| Heavy Atoms | 29 |
| Complexity | 943.77576 |
Chemical Identifiers
| CAS Number | 864935-33-1 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NCC4CCCO4)Cl |
Product Overview
CBKinase1_012255 (CAS 864935-33-1), with molecular formula C19H21ClN4O3S2 and molecular weight 452.07 g/mol. IUPAC: 5-chloro-2-methylsulfanyl-N-[3-(oxolan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide.
Chemical Property Profile of CBKinase1_012255
Property Insights of CBKinase1_012255
The XLogP value of 3.5632 indicates that CBKinase1_012255 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.21 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012255. Following Lipinski's Rule of Five, CBKinase1_012255 has 2 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_012255?
The CAS number of CBKinase1_012255 is 864935-33-1.
What is the molecular formula of CBKinase1_012255?
The molecular formula of CBKinase1_012255 is C19H21ClN4O3S2.
What is the molecular weight of CBKinase1_012255?
The molecular weight of CBKinase1_012255 is 452.07 g/mol.
Where can I buy CBKinase1_012255?
You can request a quote for CBKinase1_012255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012255?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.