![3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid structure](/static/products/3139/31399-37-8.webp)
3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid
TL;DR: 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid (CAS 31399-37-8) is a chemical compound with molecular formula C11H11Cl2NO3 and molecular weight 275.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-acetyl-3,4-dichloroanilino)propanoic acid
Also Known As: starbld0035742, 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid, 3-(N-acetyl-3,4-dichloroanilino)propanoic acid, beta-Alanine, N-acetyl-N-(3,4-dichlorophenyl)-, 3-(Acetyl-3,4-dichloroanilino)propanoic acid
| Molecular Formula | C11H11Cl2NO3 |
|---|---|
| Molecular Weight | 275.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0116 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 31399-37-8 |
|---|---|
| SMILES | CC(=O)N(CCC(=O)O)C1=CC(=C(C=C1)Cl)Cl |
| InChIKey | NCZAZDILRBKJIO-UHFFFAOYSA-N |
Product Overview
3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid (CAS 31399-37-8), with molecular formula C11H11Cl2NO3 and molecular weight 275.01 g/mol. IUPAC: 3-(N-acetyl-3,4-dichloroanilino)propanoic acid.
Chemical Property Profile of 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid
Property Insights of 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid has 1 hydrogen bond donor(s) and 3 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-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid?
The CAS number of 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid is 31399-37-8.
What is the molecular formula of 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid?
The molecular formula of 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid is C11H11Cl2NO3.
What is the molecular weight of 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid?
The molecular weight of 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid is 275.01 g/mol.
Where can I buy 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid?
You can request a quote for 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[N-(3,4-Dichlorophenyl)acetamido]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.