3-Anilino-2-chloroprop-2-enal
TL;DR: 3-Anilino-2-chloroprop-2-enal (CAS 131139-84-9) is a chemical compound with molecular formula C9H8ClNO and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2-chloroprop-2-enal
Also Known As: 3-anilino-2-chloroprop-2-enal, 2-chloro-3-(phenylamino)-2-Propenal, 2-chloro-3-(phenylamino)prop-2-enal
| Molecular Formula | C9H8ClNO |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.02943 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 131139-84-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=C(C=O)Cl |
| InChIKey | XODOFJPDDSOVBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Anilino-2-chloroprop-2-enal (CAS 131139-84-9), with molecular formula C9H8ClNO and molecular weight 181.03 g/mol. IUPAC: 3-anilino-2-chloroprop-2-enal.
Chemical Property Profile of 3-Anilino-2-chloroprop-2-enal
Property Insights of 3-Anilino-2-chloroprop-2-enal
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Anilino-2-chloroprop-2-enal. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Anilino-2-chloroprop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Anilino-2-chloroprop-2-enal has 1 hydrogen bond donor(s) and 2 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-Anilino-2-chloroprop-2-enal?
The CAS number of 3-Anilino-2-chloroprop-2-enal is 131139-84-9.
What is the molecular formula of 3-Anilino-2-chloroprop-2-enal?
The molecular formula of 3-Anilino-2-chloroprop-2-enal is C9H8ClNO.
What is the molecular weight of 3-Anilino-2-chloroprop-2-enal?
The molecular weight of 3-Anilino-2-chloroprop-2-enal is 181.03 g/mol.
Where can I buy 3-Anilino-2-chloroprop-2-enal?
You can request a quote for 3-Anilino-2-chloroprop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilino-2-chloroprop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2-chloroprop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.