A0180/0008089
TL;DR: A0180/0008089 (CAS 339156-31-9) is a chemical compound with molecular formula C14H13N3S2 and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-sulfanylidene-4-thiophen-3-yl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Also Known As: A0180/0008089, 6-methyl-4-(3-thienyl)-2-thioxo-1,5,6,7,8-pentahydropyridino[3,2-c]pyridine-3- carbonitrile, 6-methyl-4-(thiophen-3-yl)-2-thioxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile, 6-methyl-4-(3-thienyl)-2-thioxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile, 6-methyl-4-(3-thienyl)-2-thioxo-1,2,5,6,7,8-hexahydro[1,6]naphthyridine-3-carbonitrile
| Molecular Formula | C14H13N3S2 |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.05508 |
| Heavy Atoms | 19 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 339156-31-9 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CSC=C3 |
| InChIKey | NZWIBXPOJDJIOK-UHFFFAOYSA-N |
Product Overview
A0180/0008089 (CAS 339156-31-9), with molecular formula C14H13N3S2 and molecular weight 287.06 g/mol. IUPAC: 6-methyl-2-sulfanylidene-4-thiophen-3-yl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of A0180/0008089
Property Insights of A0180/0008089
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0180/0008089. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for A0180/0008089. Following Lipinski's Rule of Five, A0180/0008089 has 1 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 A0180/0008089?
The CAS number of A0180/0008089 is 339156-31-9.
What is the molecular formula of A0180/0008089?
The molecular formula of A0180/0008089 is C14H13N3S2.
What is the molecular weight of A0180/0008089?
The molecular weight of A0180/0008089 is 287.06 g/mol.
Where can I buy A0180/0008089?
You can request a quote for A0180/0008089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0180/0008089?
Yes, KEHONG BIO provides custom synthesis services for A0180/0008089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.