ChemDiv3_016117
TL;DR: ChemDiv3_016117 (CAS 832108-85-7) is a chemical compound with molecular formula C23H22N2O5 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-5-phenylpyrrol-2-yl]propanoic acid
Also Known As: ChemDiv3_016117, 3-[1-(2-{[2-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)-5-phenyl-1H-pyrrol-2-yl]propanoic acid, 3-[1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-5-phenylpyrrol-2-yl]propanoic acid, 3-(1-(2-((2-(methoxycarbonyl)phenyl)amino)-2-oxoethyl)-5-phenyl-1H-pyrrol-2-yl)propanoic acid, 3-[1-({[2-(METHOXYCARBONYL)PHENYL]CARBAMOYL}METHYL)-5-PHENYL-1H-PYRROL-2-YL]PROPANOIC ACID
| Molecular Formula | C23H22N2O5 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.5976 |
| Topological Polar Surface Area | 97.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.15286 |
| Heavy Atoms | 30 |
| Complexity | 1056.4652 |
Chemical Identifiers
| CAS Number | 832108-85-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)O |
Product Overview
ChemDiv3_016117 (CAS 832108-85-7), with molecular formula C23H22N2O5 and molecular weight 406.15 g/mol. IUPAC: 3-[1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-5-phenylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of ChemDiv3_016117
Property Insights of ChemDiv3_016117
The XLogP value of 3.5976 indicates that ChemDiv3_016117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_016117. Following Lipinski's Rule of Five, ChemDiv3_016117 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_016117?
The CAS number of ChemDiv3_016117 is 832108-85-7.
What is the molecular formula of ChemDiv3_016117?
The molecular formula of ChemDiv3_016117 is C23H22N2O5.
What is the molecular weight of ChemDiv3_016117?
The molecular weight of ChemDiv3_016117 is 406.15 g/mol.
Where can I buy ChemDiv3_016117?
You can request a quote for ChemDiv3_016117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_016117?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_016117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.