(1-Chloroethylideneamino) propanoate
TL;DR: (1-Chloroethylideneamino) propanoate (CAS 126794-87-4) is a chemical compound with molecular formula C5H8ClNO2 and molecular weight 149.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloroethylideneamino) propanoate
Also Known As: [(Z)-1-chloroethylideneamino] propanoate
| Molecular Formula | C5H8ClNO2 |
|---|---|
| Molecular Weight | 149.02 g/mol |
| LogP | 1.5118 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.02435 |
| Heavy Atoms | 9 |
| Complexity | 128.91968 |
Chemical Identifiers
| CAS Number | 126794-87-4 |
|---|---|
| SMILES | CCC(=O)ON=C(C)Cl |
Product Overview
(1-Chloroethylideneamino) propanoate (CAS 126794-87-4), with molecular formula C5H8ClNO2 and molecular weight 149.02 g/mol. IUPAC: (1-chloroethylideneamino) propanoate.
Chemical Property Profile of (1-Chloroethylideneamino) propanoate
Property Insights of (1-Chloroethylideneamino) propanoate
The XLogP value of 1.5118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Chloroethylideneamino) propanoate. With a topological polar surface area (TPSA) of 38.66 Ų, (1-Chloroethylideneamino) propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Chloroethylideneamino) propanoate has 0 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 (1-Chloroethylideneamino) propanoate?
The CAS number of (1-Chloroethylideneamino) propanoate is 126794-87-4.
What is the molecular formula of (1-Chloroethylideneamino) propanoate?
The molecular formula of (1-Chloroethylideneamino) propanoate is C5H8ClNO2.
What is the molecular weight of (1-Chloroethylideneamino) propanoate?
The molecular weight of (1-Chloroethylideneamino) propanoate is 149.02 g/mol.
Where can I buy (1-Chloroethylideneamino) propanoate?
You can request a quote for (1-Chloroethylideneamino) propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Chloroethylideneamino) propanoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Chloroethylideneamino) propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.