Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate
TL;DR: Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate (CAS 21623-68-7) 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.
propan-2-yl N-(3-ethoxyphenyl)carbamate
Also Known As: Acid Blue 43, NCIOpen2_004738, isopropyl (3-ethoxyphenyl)carbamate, propan-2-yl(3-ethoxyphenyl)carbamate, propan-2-yl N-(3-ethoxyphenyl)carbamate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 21623-68-7 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)OC(C)C |
| InChIKey | GCLGCDROEVBKQD-UHFFFAOYSA-N |
Product Overview
Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate (CAS 21623-68-7), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: propan-2-yl N-(3-ethoxyphenyl)carbamate.
Chemical Property Profile of Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate
Property Insights of Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate
The XLogP value of 3.1 indicates that Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate has 1 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 Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate?
The CAS number of Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate is 21623-68-7.
What is the molecular formula of Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate?
The molecular formula of Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate is C12H17NO3.
What is the molecular weight of Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate?
The molecular weight of Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate is 223.12 g/mol.
Where can I buy Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate?
You can request a quote for Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl hydrogen (3-ethoxyphenyl)carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.