SMases D inhibitor-1
TL;DR: SMases D inhibitor-1 (CAS 849020-48-0) is a chemical compound with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-amino-2-[(4-cyanophenyl)methylsulfanyl]pyrimidin-4-yl] 4-methylbenzenesulfonate
Also Known As: SMases D inhibitor-1, 6-Amino-2-((4-cyanobenzyl)thio)pyrimidin-4-yl 4-methylbenzenesulphonate, [6-amino-2-[(4-cyanophenyl)methylsulfanyl]pyrimidin-4-yl] 4-methylbenzenesulfonate, 6-amino-2-[(4-cyanobenzyl)sulfanyl]pyrimidin-4-yl 4-methylbenzenesulfonate, 6-amino-2-((4-cyanobenzyl)thio)pyrimidin-4-yl 4-methylbenzenesulfonate
| Molecular Formula | C19H16N4O3S2 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 3.2989 |
| Topological Polar Surface Area | 118.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.06638 |
| Heavy Atoms | 28 |
| Complexity | 1123.3354 |
Chemical Identifiers
| CAS Number | 849020-48-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2)N)SCC3=CC=C(C=C3)C#N |
Product Overview
SMases D inhibitor-1 (CAS 849020-48-0), with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol. IUPAC: [6-amino-2-[(4-cyanophenyl)methylsulfanyl]pyrimidin-4-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of SMases D inhibitor-1
Property Insights of SMases D inhibitor-1
The XLogP value of 3.2989 indicates that SMases D inhibitor-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.96 Ų falls within the moderate polarity range, balancing permeability and solubility for SMases D inhibitor-1. Following Lipinski's Rule of Five, SMases D inhibitor-1 has 1 hydrogen bond donor(s) and 8 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 SMases D inhibitor-1?
The CAS number of SMases D inhibitor-1 is 849020-48-0.
What is the molecular formula of SMases D inhibitor-1?
The molecular formula of SMases D inhibitor-1 is C19H16N4O3S2.
What is the molecular weight of SMases D inhibitor-1?
The molecular weight of SMases D inhibitor-1 is 412.07 g/mol.
Where can I buy SMases D inhibitor-1?
You can request a quote for SMases D inhibitor-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SMases D inhibitor-1?
Yes, KEHONG BIO provides custom synthesis services for SMases D inhibitor-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.