BAS 01107854
TL;DR: BAS 01107854 (CAS 329213-31-2) is a chemical compound with molecular formula C25H27N3S2 and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: BAS 01107854, 2-((4-(tert-butyl)benzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, 2-[(4-tert-butylbenzyl)sulfanyl]-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, 2-[(4-tert-butylbenzyl)sulfanyl]-6-methyl-4-thien-2-yl-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile, 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
| Molecular Formula | C25H27N3S2 |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | 6.25948 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.16464 |
| Heavy Atoms | 30 |
| Complexity | 1071.562 |
Chemical Identifiers
| CAS Number | 329213-31-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(CN(CC3)C)C(=C2C#N)C4=CC=CS4 |
Product Overview
BAS 01107854 (CAS 329213-31-2), with molecular formula C25H27N3S2 and molecular weight 433.16 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of BAS 01107854
Property Insights of BAS 01107854
The XLogP value of 6.25948 indicates that BAS 01107854 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 01107854 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01107854 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 01107854?
The CAS number of BAS 01107854 is 329213-31-2.
What is the molecular formula of BAS 01107854?
The molecular formula of BAS 01107854 is C25H27N3S2.
What is the molecular weight of BAS 01107854?
The molecular weight of BAS 01107854 is 433.16 g/mol.
Where can I buy BAS 01107854?
You can request a quote for BAS 01107854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107854?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.