5-Chloro-3-methyl-2(3H)-benzoxazolimine
TL;DR: 5-Chloro-3-methyl-2(3H)-benzoxazolimine (CAS 64037-23-6) is a chemical compound with molecular formula C8H7ClN2O and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-methyl-1,3-benzoxazol-2-imine
Also Known As: 5-Chloro-2-imino-3-methylbenzoxazoline, 5-Chloro-3-methyl-2(3H)-benzoxazolimine, BENZOXAZOLINE, 5-CHLORO-2-IMINO-3-METHYL-, 5-chloro-3-methyl-1,3-benzoxazol-2-imine, 2(3H)-Benzoxazolimine, 5-chloro-3-methyl-
| Molecular Formula | C8H7ClN2O |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.02469 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 64037-23-6 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)Cl)OC1=N |
| InChIKey | IHHFWUALAIRFQB-UHFFFAOYSA-N |
Product Overview
5-Chloro-3-methyl-2(3H)-benzoxazolimine (CAS 64037-23-6), with molecular formula C8H7ClN2O and molecular weight 182.02 g/mol. IUPAC: 5-chloro-3-methyl-1,3-benzoxazol-2-imine.
Chemical Property Profile of 5-Chloro-3-methyl-2(3H)-benzoxazolimine
Property Insights of 5-Chloro-3-methyl-2(3H)-benzoxazolimine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-3-methyl-2(3H)-benzoxazolimine. With a topological polar surface area (TPSA) of 36.3 Ų, 5-Chloro-3-methyl-2(3H)-benzoxazolimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-3-methyl-2(3H)-benzoxazolimine 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 5-Chloro-3-methyl-2(3H)-benzoxazolimine?
The CAS number of 5-Chloro-3-methyl-2(3H)-benzoxazolimine is 64037-23-6.
What is the molecular formula of 5-Chloro-3-methyl-2(3H)-benzoxazolimine?
The molecular formula of 5-Chloro-3-methyl-2(3H)-benzoxazolimine is C8H7ClN2O.
What is the molecular weight of 5-Chloro-3-methyl-2(3H)-benzoxazolimine?
The molecular weight of 5-Chloro-3-methyl-2(3H)-benzoxazolimine is 182.02 g/mol.
Where can I buy 5-Chloro-3-methyl-2(3H)-benzoxazolimine?
You can request a quote for 5-Chloro-3-methyl-2(3H)-benzoxazolimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-methyl-2(3H)-benzoxazolimine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-methyl-2(3H)-benzoxazolimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.