BAS 00631333
TL;DR: BAS 00631333 (CAS 372153-98-5) is a chemical compound with molecular formula C24H30N2O2S and molecular weight 410.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
Also Known As: BAS 00631333, 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone, 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-((5-methyl-1H-benzo[d]imidazol-2-yl)thio)ethanone, 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone, 1-[3,5-bis(tert-butyl)-4-hydroxyphenyl]-2-(5-methylbenzimidazol-2-ylthio)ethan -1-one
| Molecular Formula | C24H30N2O2S |
|---|---|
| Molecular Weight | 410.20 g/mol |
| LogP | 6.14692 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.2028 |
| Heavy Atoms | 29 |
| Complexity | 1033.6498 |
Chemical Identifiers
| CAS Number | 372153-98-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C |
Product Overview
BAS 00631333 (CAS 372153-98-5), with molecular formula C24H30N2O2S and molecular weight 410.20 g/mol. IUPAC: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 00631333
Property Insights of BAS 00631333
The XLogP value of 6.14692 indicates that BAS 00631333 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00631333. Following Lipinski's Rule of Five, BAS 00631333 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00631333?
The CAS number of BAS 00631333 is 372153-98-5.
What is the molecular formula of BAS 00631333?
The molecular formula of BAS 00631333 is C24H30N2O2S.
What is the molecular weight of BAS 00631333?
The molecular weight of BAS 00631333 is 410.20 g/mol.
Where can I buy BAS 00631333?
You can request a quote for BAS 00631333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00631333?
Yes, KEHONG BIO provides custom synthesis services for BAS 00631333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.