TOS-BB-0096
TL;DR: TOS-BB-0096 (CAS 6125-48-0) is a chemical compound with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
Also Known As: TOS-BB-0096, 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyridine-3-carboxamide, 6-Amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carboxamide, 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
| Molecular Formula | C15H16N4O3S |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 0.51338 |
| Topological Polar Surface Area | 123.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.0943 |
| Heavy Atoms | 23 |
| Complexity | 738.7278 |
Chemical Identifiers
| CAS Number | 6125-48-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2C(C(=S)NC(=C2C#N)N)C(=O)N)OC |
Product Overview
TOS-BB-0096 (CAS 6125-48-0), with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol. IUPAC: 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide.
Chemical Property Profile of TOS-BB-0096
Property Insights of TOS-BB-0096
The XLogP value of 0.51338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TOS-BB-0096. The TPSA of 123.39 Ų falls within the moderate polarity range, balancing permeability and solubility for TOS-BB-0096. Following Lipinski's Rule of Five, TOS-BB-0096 has 3 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 TOS-BB-0096?
The CAS number of TOS-BB-0096 is 6125-48-0.
What is the molecular formula of TOS-BB-0096?
The molecular formula of TOS-BB-0096 is C15H16N4O3S.
What is the molecular weight of TOS-BB-0096?
The molecular weight of TOS-BB-0096 is 332.09 g/mol.
Where can I buy TOS-BB-0096?
You can request a quote for TOS-BB-0096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TOS-BB-0096?
Yes, KEHONG BIO provides custom synthesis services for TOS-BB-0096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.