间羟基苯胺基甲酸异戊酯
TL;DR: 间羟基苯胺基甲酸异戊酯 (CAS 73623-18-4) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间羟基苯胺基甲酸异戊酯
3-methylbutyl N-(3-hydroxyphenyl)carbamate
Also Known As: Isopentyl m-hydroxycarbanilate, 3-methylbutyl N-(3-hydroxyphenyl)carbamate, Isopentyl 3-hydroxycarbanilate, m-Hydroxycarbanilic acid isopentyl ester, CARBANILIC ACID, m-HYDROXY-, ISOPENTYL ESTER
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 73623-18-4 |
|---|---|
| SMILES | CC(C)CCOC(=O)NC1=CC(=CC=C1)O |
| InChIKey | XQGRRRUKOWQZKI-UHFFFAOYSA-N |
Product Overview
间羟基苯胺基甲酸异戊酯 (CAS 73623-18-4), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 3-methylbutyl N-(3-hydroxyphenyl)carbamate.
Chemical Property Profile of 间羟基苯胺基甲酸异戊酯
Property Insights of 间羟基苯胺基甲酸异戊酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间羟基苯胺基甲酸异戊酯. With a topological polar surface area (TPSA) of 58.6 Ų, 间羟基苯胺基甲酸异戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间羟基苯胺基甲酸异戊酯 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 间羟基苯胺基甲酸异戊酯?
The CAS number of 间羟基苯胺基甲酸异戊酯 is 73623-18-4.
What is the molecular formula of 间羟基苯胺基甲酸异戊酯?
The molecular formula of 间羟基苯胺基甲酸异戊酯 is C12H17NO3.
What is the molecular weight of 间羟基苯胺基甲酸异戊酯?
The molecular weight of 间羟基苯胺基甲酸异戊酯 is 223.12 g/mol.
Where can I buy 间羟基苯胺基甲酸异戊酯?
You can request a quote for 间羟基苯胺基甲酸异戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间羟基苯胺基甲酸异戊酯?
Yes, KEHONG BIO provides custom synthesis services for 间羟基苯胺基甲酸异戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.