Bibs 39
TL;DR: Bibs 39 (CAS 133085-87-7) is a chemical compound with molecular formula C32H36N4O3 and molecular weight 524.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[2-butyl-6-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid
Also Known As: Bibs 39, BIBS39, BIBS39?, 2-[4-[[2-butyl-6-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid, 4'-((2-Butyl-6-(((cyclohexylamino)carbonyl)amino)-1H-benzimidazo-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
| Molecular Formula | C32H36N4O3 |
|---|---|
| Molecular Weight | 524.28 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 524.27875 |
| Heavy Atoms | 39 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 133085-87-7 |
|---|---|
| SMILES | CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NC(=O)NC5CCCCC5 |
| InChIKey | OLQFKFSAJNUOPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bibs 39 (CAS 133085-87-7), with molecular formula C32H36N4O3 and molecular weight 524.28 g/mol. IUPAC: 2-[4-[[2-butyl-6-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid.
Chemical Property Profile of Bibs 39
Property Insights of Bibs 39
The XLogP value of 6.7 indicates that Bibs 39 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Bibs 39. Following Lipinski's Rule of Five, Bibs 39 has 3 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 Bibs 39?
The CAS number of Bibs 39 is 133085-87-7.
What is the molecular formula of Bibs 39?
The molecular formula of Bibs 39 is C32H36N4O3.
What is the molecular weight of Bibs 39?
The molecular weight of Bibs 39 is 524.28 g/mol.
Where can I buy Bibs 39?
You can request a quote for Bibs 39 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bibs 39?
Yes, KEHONG BIO provides custom synthesis services for Bibs 39 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.