BAS 00083442
TL;DR: BAS 00083442 (CAS 300404-63-1) is a chemical compound with molecular formula C21H22ClN3S and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-4-(2,6-dimethylanilino)-1,3-diazaspiro[4.4]non-3-ene-2-thione
Also Known As: BAS 00083442, (Z)-1-(2-chlorophenyl)-4-((2,6-dimethylphenyl)imino)-1,3-diazaspiro[4.4]nonane-2-thione, (4Z)-1-(2-chlorophenyl)-4-[(2,6-dimethylphenyl)imino]-1,3-diazaspiro[4.4]nonane-2-thione, 9-(2-chlorophenyl)-6-(2,6-dimethylanilino)-7,9-diazaspiro[4.4]non-6-ene-8-thione
| Molecular Formula | C21H22ClN3S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 5.88514 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.12228 |
| Heavy Atoms | 26 |
| Complexity | 879.6293 |
Chemical Identifiers
| CAS Number | 300404-63-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC2=NC(=S)N(C23CCCC3)C4=CC=CC=C4Cl |
Product Overview
BAS 00083442 (CAS 300404-63-1), with molecular formula C21H22ClN3S and molecular weight 383.12 g/mol. IUPAC: 1-(2-chlorophenyl)-4-(2,6-dimethylanilino)-1,3-diazaspiro[4.4]non-3-ene-2-thione.
Chemical Property Profile of BAS 00083442
Property Insights of BAS 00083442
The XLogP value of 5.88514 indicates that BAS 00083442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, BAS 00083442 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00083442 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00083442?
The CAS number of BAS 00083442 is 300404-63-1.
What is the molecular formula of BAS 00083442?
The molecular formula of BAS 00083442 is C21H22ClN3S.
What is the molecular weight of BAS 00083442?
The molecular weight of BAS 00083442 is 383.12 g/mol.
Where can I buy BAS 00083442?
You can request a quote for BAS 00083442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00083442?
Yes, KEHONG BIO provides custom synthesis services for BAS 00083442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.