![3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid structure](/static/products/5090/50903-75-8.webp)
3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
TL;DR: 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid (CAS 50903-75-8) is a chemical compound with molecular formula C17H24N2O5 and molecular weight 336.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
Also Known As: cis-Entacapone, N-[(Benzyloxy)carbonyl]alanylisoleucine, 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid, 2-(2-(benzyloxycarbonylamino)propanamido)-3-methylpentanoic acid
| Molecular Formula | C17H24N2O5 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 336.16852 |
| Heavy Atoms | 24 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 50903-75-8 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | RKKAECASDDATIR-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid (CAS 50903-75-8), with molecular formula C17H24N2O5 and molecular weight 336.17 g/mol. IUPAC: 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid.
Chemical Property Profile of 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
Property Insights of 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid has 3 hydrogen bond donor(s) and 5 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 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid?
The CAS number of 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid is 50903-75-8.
What is the molecular formula of 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid?
The molecular formula of 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid is C17H24N2O5.
What is the molecular weight of 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid?
The molecular weight of 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid is 336.17 g/mol.
Where can I buy 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid?
You can request a quote for 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.