3-苯基肼基甲酸异丙酯
TL;DR: 3-苯基肼基甲酸异丙酯 (CAS 40886-95-1) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基肼基甲酸异丙酯
propan-2-yl N-anilinocarbamate
Also Known As: Isopropyl 3-phenylcarbazate, propan-2-yl N-anilinocarbamate, 3-Phenylcarbazic acid isopropyl ester, CARBAZIC ACID, 3-PHENYL-, ISOPROPYL ESTER, NCIOpen2_001009
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 40886-95-1 |
|---|---|
| SMILES | CC(C)OC(=O)NNC1=CC=CC=C1 |
| InChIKey | MEVPBSUVXHDGDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基肼基甲酸异丙酯 (CAS 40886-95-1), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: propan-2-yl N-anilinocarbamate.
Chemical Property Profile of 3-苯基肼基甲酸异丙酯
Property Insights of 3-苯基肼基甲酸异丙酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基肼基甲酸异丙酯. With a topological polar surface area (TPSA) of 50.4 Ų, 3-苯基肼基甲酸异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基肼基甲酸异丙酯 has 2 hydrogen bond donor(s) and 3 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-苯基肼基甲酸异丙酯?
The CAS number of 3-苯基肼基甲酸异丙酯 is 40886-95-1.
What is the molecular formula of 3-苯基肼基甲酸异丙酯?
The molecular formula of 3-苯基肼基甲酸异丙酯 is C10H14N2O2.
What is the molecular weight of 3-苯基肼基甲酸异丙酯?
The molecular weight of 3-苯基肼基甲酸异丙酯 is 194.11 g/mol.
Where can I buy 3-苯基肼基甲酸异丙酯?
You can request a quote for 3-苯基肼基甲酸异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基肼基甲酸异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基肼基甲酸异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.