4,5-二氢-N-(3-甲基苯基)-2-恶唑胺
TL;DR: 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺 (CAS 65536-43-8) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-二氢-N-(3-甲基苯基)-2-恶唑胺
N-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: 2-(m-Toluidino)-2-oxazoline, m-Toluidine, N-(2-oxazolin-2-yl)-, 2-Oxazolamine, 4,5-dihydro-N-(3-methylphenyl)-, N-(2-Oxazolin-2-yl)-m-toluidine, N-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 65536-43-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NCCO2 |
| InChIKey | MKENSKQNBRWBOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-二氢-N-(3-甲基苯基)-2-恶唑胺 (CAS 65536-43-8), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: N-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
Chemical Property Profile of 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺
Property Insights of 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺. With a topological polar surface area (TPSA) of 33.6 Ų, 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺 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 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺?
The CAS number of 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺 is 65536-43-8.
What is the molecular formula of 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺?
The molecular formula of 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺 is C10H12N2O.
What is the molecular weight of 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺?
The molecular weight of 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺 is 176.09 g/mol.
Where can I buy 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺?
You can request a quote for 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二氢-N-(3-甲基苯基)-2-恶唑胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.