RefChem:1079590
TL;DR: RefChem:1079590 (CAS 172798-58-2) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(Z)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-phenylprop-2-enoyl]amino]propanoic acid
Also Known As: N-(2-((4-(2-Methylpropoxy)benzoyl)amino)-1-oxo-3-phenyl-2-propenyl)beta-alanine, beta-Alanine, N-(2-((4-(2-methylpropoxy)benzoyl)amino)-1-oxo-3-phenyl-2-propenyl)-, (Z)-3-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)propanoic acid, 3-[[(Z)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-phenylprop-2-enoyl]amino]propanoic acid, N-[(2Z)-2-({[4-(2-methylpropoxy)phenyl]carbonyl}amino)-3-phenylprop-2-enoyl]-beta-alanine
| Molecular Formula | C23H26N2O5 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 3.0832 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 410.18417 |
| Heavy Atoms | 30 |
| Complexity | 889.5693 |
Chemical Identifiers
| CAS Number | 172798-58-2 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCCC(=O)O |
Product Overview
RefChem:1079590 (CAS 172798-58-2), with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol. IUPAC: 3-[[(Z)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-phenylprop-2-enoyl]amino]propanoic acid.
Chemical Property Profile of RefChem:1079590
Property Insights of RefChem:1079590
The XLogP value of 3.0832 indicates that RefChem:1079590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079590. Following Lipinski's Rule of Five, RefChem:1079590 has 3 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 RefChem:1079590?
The CAS number of RefChem:1079590 is 172798-58-2.
What is the molecular formula of RefChem:1079590?
The molecular formula of RefChem:1079590 is C23H26N2O5.
What is the molecular weight of RefChem:1079590?
The molecular weight of RefChem:1079590 is 410.18 g/mol.
Where can I buy RefChem:1079590?
You can request a quote for RefChem:1079590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079590?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.