Bibs 222
TL;DR: Bibs 222 (CAS 142023-57-2) is a chemical compound with molecular formula C33H37Cl2N5O4 and molecular weight 637.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[[2-butyl-6-[methylcarbamoyl(pentyl)amino]benzimidazol-1-yl]methyl]phenyl]carbamoyl]-3,6-dichlorobenzoic acid
Also Known As: Bibs 222, 2-[[4-[[2-butyl-6-[methylcarbamoyl(pentyl)amino]benzimidazol-1-yl]methyl]phenyl]carbamoyl]-3,6-dichlorobenzoic acid, 2-((4-((2-butyl-6-(3-methyl-1-pentylureido)-1H-benzo[d]imidazol-1-yl)methyl)phenyl)carbamoyl)-3,6-dichlorobenzoic acid, 2-n-Butyl-1-(4-(6-carboxy-2,5-dichlorobenzoylamino)benzyl)-6-N-(methylaminocarbonyl)-n-pentylaminobenzimidazole, 2,5-Dichloro-6-[4-[2-butyl-5-[methylaminocarbonyl(pentyl)amino]-3H-benzimidazol-3-ylmethyl]phenylaminocarbonyl]benzoic acid
| Molecular Formula | C33H37Cl2N5O4 |
|---|---|
| Molecular Weight | 637.22 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 637.2223 |
| Heavy Atoms | 44 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 142023-57-2 |
|---|---|
| SMILES | CCCCCN(C1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4C(=O)O)Cl)Cl)CCCC)C(=O)NC |
| InChIKey | ZHWGRXBJGUEATA-UHFFFAOYSA-N |
Product Overview
Bibs 222 (CAS 142023-57-2), with molecular formula C33H37Cl2N5O4 and molecular weight 637.22 g/mol. IUPAC: 2-[[4-[[2-butyl-6-[methylcarbamoyl(pentyl)amino]benzimidazol-1-yl]methyl]phenyl]carbamoyl]-3,6-dichlorobenzoic acid.
Chemical Property Profile of Bibs 222
Property Insights of Bibs 222
The XLogP value of 7.4 indicates that Bibs 222 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bibs 222. Following Lipinski's Rule of Five, Bibs 222 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bibs 222?
The CAS number of Bibs 222 is 142023-57-2.
What is the molecular formula of Bibs 222?
The molecular formula of Bibs 222 is C33H37Cl2N5O4.
What is the molecular weight of Bibs 222?
The molecular weight of Bibs 222 is 637.22 g/mol.
Where can I buy Bibs 222?
You can request a quote for Bibs 222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bibs 222?
Yes, KEHONG BIO provides custom synthesis services for Bibs 222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.