ChemDiv3_015518
TL;DR: ChemDiv3_015518 (CAS 838849-33-5) is a chemical compound with molecular formula C17H19ClN4O3S2 and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide
Also Known As: ChemDiv3_015518, 5-chloro-2-(methylsulfanyl)-N-[4-(piperidine-1-sulfonyl)phenyl]pyrimidine-4-carboxamide, 5-chloro-2-methylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide, 5-chloro-2-(methylsulfanyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]pyrimidine-4-carboxamide
| Molecular Formula | C17H19ClN4O3S2 |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 3.2788 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.05872 |
| Heavy Atoms | 27 |
| Complexity | 929.69476 |
Chemical Identifiers
| CAS Number | 838849-33-5 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl |
Product Overview
ChemDiv3_015518 (CAS 838849-33-5), with molecular formula C17H19ClN4O3S2 and molecular weight 426.06 g/mol. IUPAC: 5-chloro-2-methylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide.
Chemical Property Profile of ChemDiv3_015518
Property Insights of ChemDiv3_015518
The XLogP value of 3.2788 indicates that ChemDiv3_015518 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015518. Following Lipinski's Rule of Five, ChemDiv3_015518 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_015518?
The CAS number of ChemDiv3_015518 is 838849-33-5.
What is the molecular formula of ChemDiv3_015518?
The molecular formula of ChemDiv3_015518 is C17H19ClN4O3S2.
What is the molecular weight of ChemDiv3_015518?
The molecular weight of ChemDiv3_015518 is 426.06 g/mol.
Where can I buy ChemDiv3_015518?
You can request a quote for ChemDiv3_015518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015518?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.