BAS 00631787
TL;DR: BAS 00631787 (CAS 312617-89-3) is a chemical compound with molecular formula C31H37N3O2 and molecular weight 483.29 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-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanone
Also Known As: BAS 00631787, J1.633.759E, AE-848/11244327, 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethan-1-one, 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone
| Molecular Formula | C31H37N3O2 |
|---|---|
| Molecular Weight | 483.29 g/mol |
| LogP | 6.46249 |
| Topological Polar Surface Area | 71.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.28857 |
| Heavy Atoms | 36 |
| Complexity | 1455.3337 |
Chemical Identifiers
| CAS Number | 312617-89-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C |
Product Overview
BAS 00631787 (CAS 312617-89-3), with molecular formula C31H37N3O2 and molecular weight 483.29 g/mol. IUPAC: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanone.
Chemical Property Profile of BAS 00631787
Property Insights of BAS 00631787
The XLogP value of 6.46249 indicates that BAS 00631787 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00631787. Following Lipinski's Rule of Five, BAS 00631787 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00631787?
The CAS number of BAS 00631787 is 312617-89-3.
What is the molecular formula of BAS 00631787?
The molecular formula of BAS 00631787 is C31H37N3O2.
What is the molecular weight of BAS 00631787?
The molecular weight of BAS 00631787 is 483.29 g/mol.
Where can I buy BAS 00631787?
You can request a quote for BAS 00631787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00631787?
Yes, KEHONG BIO provides custom synthesis services for BAS 00631787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.