Isopropyl N-p-hydroxyphenylcarbamate O-sulfate
TL;DR: Isopropyl N-p-hydroxyphenylcarbamate O-sulfate (CAS 21683-60-3) is a chemical compound with molecular formula C10H13NO6S and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-(4-sulfooxyphenyl)carbamate
Also Known As: propan-2-yl[4-(sulfooxy)phenyl]carbamate, Isopropyl N-p-hydroxyphenylcarbamate O-sulfate, propan-2-yl N-(4-sulfooxyphenyl)carbamate, propan-2-yl [4-(sulfooxy)phenyl]carbamate, Isopropyl 4-hydroxycarbanilate sulfate (ester)
| Molecular Formula | C10H13NO6S |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.04636 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 21683-60-3 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC=C(C=C1)OS(=O)(=O)O |
| InChIKey | SWOMVSNGMIJJMG-UHFFFAOYSA-N |
Product Overview
Isopropyl N-p-hydroxyphenylcarbamate O-sulfate (CAS 21683-60-3), with molecular formula C10H13NO6S and molecular weight 275.05 g/mol. IUPAC: propan-2-yl N-(4-sulfooxyphenyl)carbamate.
Chemical Property Profile of Isopropyl N-p-hydroxyphenylcarbamate O-sulfate
Property Insights of Isopropyl N-p-hydroxyphenylcarbamate O-sulfate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl N-p-hydroxyphenylcarbamate O-sulfate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl N-p-hydroxyphenylcarbamate O-sulfate. Following Lipinski's Rule of Five, Isopropyl N-p-hydroxyphenylcarbamate O-sulfate has 2 hydrogen bond donor(s) and 6 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 Isopropyl N-p-hydroxyphenylcarbamate O-sulfate?
The CAS number of Isopropyl N-p-hydroxyphenylcarbamate O-sulfate is 21683-60-3.
What is the molecular formula of Isopropyl N-p-hydroxyphenylcarbamate O-sulfate?
The molecular formula of Isopropyl N-p-hydroxyphenylcarbamate O-sulfate is C10H13NO6S.
What is the molecular weight of Isopropyl N-p-hydroxyphenylcarbamate O-sulfate?
The molecular weight of Isopropyl N-p-hydroxyphenylcarbamate O-sulfate is 275.05 g/mol.
Where can I buy Isopropyl N-p-hydroxyphenylcarbamate O-sulfate?
You can request a quote for Isopropyl N-p-hydroxyphenylcarbamate O-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl N-p-hydroxyphenylcarbamate O-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl N-p-hydroxyphenylcarbamate O-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.