BAS 06900097
TL;DR: BAS 06900097 (CAS 445222-20-8) is a chemical compound with molecular formula C21H25N3S and molecular weight 351.18 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-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: BAS 06900097, 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile, 2-[(4-tert-butylbenzyl)sulfanyl]-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile, 2-(4-tert-Butyl-benzylsulfanyl)-6-methyl-5,6,7,8-tetrahydro-[1,6]naphthyridine-3-carbonitrile
| Molecular Formula | C21H25N3S |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 4.53098 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1769 |
| Heavy Atoms | 25 |
| Complexity | 797.61646 |
Chemical Identifiers
| CAS Number | 445222-20-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=C3CN(CCC3=N2)C)C#N |
Product Overview
BAS 06900097 (CAS 445222-20-8), with molecular formula C21H25N3S and molecular weight 351.18 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of BAS 06900097
Property Insights of BAS 06900097
The XLogP value of 4.53098 indicates that BAS 06900097 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 06900097 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06900097 has 0 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 BAS 06900097?
The CAS number of BAS 06900097 is 445222-20-8.
What is the molecular formula of BAS 06900097?
The molecular formula of BAS 06900097 is C21H25N3S.
What is the molecular weight of BAS 06900097?
The molecular weight of BAS 06900097 is 351.18 g/mol.
Where can I buy BAS 06900097?
You can request a quote for BAS 06900097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900097?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.