3-(二氯氨基)丙酸
TL;DR: 3-(二氯氨基)丙酸 (CAS 58941-15-4) is a chemical compound with molecular formula C3H5Cl2NO2 and molecular weight 156.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(二氯氨基)丙酸
3-(dichloroamino)propanoic acid
Also Known As: 3-(dichloroamino)propanoic acid, N,N-Dichloro-beta-alanine, J1.442.363J
| Molecular Formula | C3H5Cl2NO2 |
|---|---|
| Molecular Weight | 156.97 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.96973 |
| Heavy Atoms | 8 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 58941-15-4 |
|---|---|
| SMILES | C(CN(Cl)Cl)C(=O)O |
| InChIKey | AZKHCWNPCUORLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(二氯氨基)丙酸 (CAS 58941-15-4), with molecular formula C3H5Cl2NO2 and molecular weight 156.97 g/mol. IUPAC: 3-(dichloroamino)propanoic acid.
Chemical Property Profile of 3-(二氯氨基)丙酸
Property Insights of 3-(二氯氨基)丙酸
The XLogP value of -1.9 indicates that 3-(二氯氨基)丙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 3-(二氯氨基)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(二氯氨基)丙酸 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-(二氯氨基)丙酸?
The CAS number of 3-(二氯氨基)丙酸 is 58941-15-4.
What is the molecular formula of 3-(二氯氨基)丙酸?
The molecular formula of 3-(二氯氨基)丙酸 is C3H5Cl2NO2.
What is the molecular weight of 3-(二氯氨基)丙酸?
The molecular weight of 3-(二氯氨基)丙酸 is 156.97 g/mol.
Where can I buy 3-(二氯氨基)丙酸?
You can request a quote for 3-(二氯氨基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(二氯氨基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(二氯氨基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.