Benzenecarboximidic acid, 4-chloro-, methyl ester
TL;DR: Benzenecarboximidic acid, 4-chloro-, methyl ester (CAS 39083-17-5) is a chemical compound with molecular formula C8H8ClNO and molecular weight 169.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chlorobenzenecarboximidate
Also Known As: methyl 4-chlorobenzenecarboximidate, methyl (4-chlorophenyl)imidoformate, 4-chloro-benzimidic acid methyl ester, Methyl 4-chlorobenzene-1-carboximidate, Benzenecarboximidic acid, 4-chloro-, methyl ester
| Molecular Formula | C8H8ClNO |
|---|---|
| Molecular Weight | 169.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.02943 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 39083-17-5 |
|---|---|
| SMILES | COC(=N)C1=CC=C(C=C1)Cl |
| InChIKey | YETTYEFTHBHGHP-UHFFFAOYSA-N |
Product Overview
Benzenecarboximidic acid, 4-chloro-, methyl ester (CAS 39083-17-5), with molecular formula C8H8ClNO and molecular weight 169.03 g/mol. IUPAC: methyl 4-chlorobenzenecarboximidate.
Chemical Property Profile of Benzenecarboximidic acid, 4-chloro-, methyl ester
Property Insights of Benzenecarboximidic acid, 4-chloro-, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarboximidic acid, 4-chloro-, methyl ester. With a topological polar surface area (TPSA) of 33.1 Ų, Benzenecarboximidic acid, 4-chloro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarboximidic acid, 4-chloro-, methyl ester 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 Benzenecarboximidic acid, 4-chloro-, methyl ester?
The CAS number of Benzenecarboximidic acid, 4-chloro-, methyl ester is 39083-17-5.
What is the molecular formula of Benzenecarboximidic acid, 4-chloro-, methyl ester?
The molecular formula of Benzenecarboximidic acid, 4-chloro-, methyl ester is C8H8ClNO.
What is the molecular weight of Benzenecarboximidic acid, 4-chloro-, methyl ester?
The molecular weight of Benzenecarboximidic acid, 4-chloro-, methyl ester is 169.03 g/mol.
Where can I buy Benzenecarboximidic acid, 4-chloro-, methyl ester?
You can request a quote for Benzenecarboximidic acid, 4-chloro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidic acid, 4-chloro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidic acid, 4-chloro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.