(3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
TL;DR: (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide (CAS 303051-75-4) is a chemical compound with molecular formula C13H11BrN4OS and molecular weight 349.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
Also Known As: (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide, (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-thioxo-1,2,3,4-tetrahydropyridine-3-carboxamide
| Molecular Formula | C13H11BrN4OS |
|---|---|
| Molecular Weight | 349.98 g/mol |
| LogP | 1.25868 |
| Topological Polar Surface Area | 104.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.9837 |
| Heavy Atoms | 20 |
| Complexity | 664.58014 |
Chemical Identifiers
| CAS Number | 303051-75-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)[C@@H]2[C@H](C(=S)NC(=C2C#N)N)C(=O)N |
Product Overview
(3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide (CAS 303051-75-4), with molecular formula C13H11BrN4OS and molecular weight 349.98 g/mol. IUPAC: (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide.
Chemical Property Profile of (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
Property Insights of (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
The XLogP value of 1.25868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide. The TPSA of 104.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide. Following Lipinski's Rule of Five, (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide has 3 hydrogen bond donor(s) and 4 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 (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide?
The CAS number of (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide is 303051-75-4.
What is the molecular formula of (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide?
The molecular formula of (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide is C13H11BrN4OS.
What is the molecular weight of (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide?
The molecular weight of (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide is 349.98 g/mol.
Where can I buy (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide?
You can request a quote for (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (3S,4S)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.