N-Methylbenzimidoyl chloride
TL;DR: N-Methylbenzimidoyl chloride (CAS 21737-87-1) is a chemical compound with molecular formula C8H8ClN and molecular weight 153.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methylbenzenecarboximidoyl chloride
Also Known As: N-Methylbenzimidoyl chloride, N-methyl benzimidoyl chloride, N-methylbenz-imidoyl chloride, N-methylbenzenecarboximidoyl chloride, (N-methyl)-benzimidoyl chloride
| Molecular Formula | C8H8ClN |
|---|---|
| Molecular Weight | 153.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.03453 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 21737-87-1 |
|---|---|
| SMILES | CN=C(C1=CC=CC=C1)Cl |
| InChIKey | KFVKPSOJAAJVSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methylbenzimidoyl chloride (CAS 21737-87-1), with molecular formula C8H8ClN and molecular weight 153.03 g/mol. IUPAC: N-methylbenzenecarboximidoyl chloride.
Chemical Property Profile of N-Methylbenzimidoyl chloride
Property Insights of N-Methylbenzimidoyl chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylbenzimidoyl chloride. With a topological polar surface area (TPSA) of 12.4 Ų, N-Methylbenzimidoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylbenzimidoyl chloride has 0 hydrogen bond donor(s) and 1 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 N-Methylbenzimidoyl chloride?
The CAS number of N-Methylbenzimidoyl chloride is 21737-87-1.
What is the molecular formula of N-Methylbenzimidoyl chloride?
The molecular formula of N-Methylbenzimidoyl chloride is C8H8ClN.
What is the molecular weight of N-Methylbenzimidoyl chloride?
The molecular weight of N-Methylbenzimidoyl chloride is 153.03 g/mol.
Where can I buy N-Methylbenzimidoyl chloride?
You can request a quote for N-Methylbenzimidoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylbenzimidoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for N-Methylbenzimidoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.