BAS 01107856
TL;DR: BAS 01107856 (CAS 313379-83-8) is a chemical compound with molecular formula C21H17Cl2N3S2 and molecular weight 445.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: BAS 01107856, A0564/0026080, 2-((3,4-dichlorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, 2-[(3,4-dichlorobenzyl)sulfanyl]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile, 2-[(3,4-dichlorobenzyl)sulfanyl]-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
| Molecular Formula | C21H17Cl2N3S2 |
|---|---|
| Molecular Weight | 445.02 g/mol |
| LogP | 6.26878 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.0241 |
| Heavy Atoms | 28 |
| Complexity | 1058.498 |
Chemical Identifiers
| CAS Number | 313379-83-8 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=C(C(=N2)SCC3=CC(=C(C=C3)Cl)Cl)C#N)C4=CC=CS4 |
Product Overview
BAS 01107856 (CAS 313379-83-8), with molecular formula C21H17Cl2N3S2 and molecular weight 445.02 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of BAS 01107856
Property Insights of BAS 01107856
The XLogP value of 6.26878 indicates that BAS 01107856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.92 Ų, BAS 01107856 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01107856 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01107856?
The CAS number of BAS 01107856 is 313379-83-8.
What is the molecular formula of BAS 01107856?
The molecular formula of BAS 01107856 is C21H17Cl2N3S2.
What is the molecular weight of BAS 01107856?
The molecular weight of BAS 01107856 is 445.02 g/mol.
Where can I buy BAS 01107856?
You can request a quote for BAS 01107856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107856?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.