BAS 00083465
TL;DR: BAS 00083465 (CAS 300404-68-6) 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-(3-chlorophenyl)-4-(2,6-dimethylanilino)-1,3-diazaspiro[4.4]non-3-ene-2-thione
Also Known As: BAS 00083465, BRD-K41114910-001-01-2, (4Z)-1-(3-chlorophenyl)-4-[(2,6-dimethylphenyl)imino]-1,3-diazaspiro[4.4]nonane-2-thione, (Z)-1-(3-chlorophenyl)-4-((2,6-dimethylphenyl)imino)-1,3-diazaspiro[4.4]nonane-2-thione, 9-(3-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 | 300404-68-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC2=NC(=S)N(C23CCCC3)C4=CC(=CC=C4)Cl |
Product Overview
BAS 00083465 (CAS 300404-68-6), with molecular formula C21H22ClN3S and molecular weight 383.12 g/mol. IUPAC: 1-(3-chlorophenyl)-4-(2,6-dimethylanilino)-1,3-diazaspiro[4.4]non-3-ene-2-thione.
Chemical Property Profile of BAS 00083465
Property Insights of BAS 00083465
The XLogP value of 5.88514 indicates that BAS 00083465 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 00083465 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00083465 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 00083465?
The CAS number of BAS 00083465 is 300404-68-6.
What is the molecular formula of BAS 00083465?
The molecular formula of BAS 00083465 is C21H22ClN3S.
What is the molecular weight of BAS 00083465?
The molecular weight of BAS 00083465 is 383.12 g/mol.
Where can I buy BAS 00083465?
You can request a quote for BAS 00083465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00083465?
Yes, KEHONG BIO provides custom synthesis services for BAS 00083465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.