1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate
TL;DR: 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate (CAS 3197-93-1) is a chemical compound with molecular formula C12H11NO6S and molecular weight 297.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-sulfooxynaphthalen-1-yl) N-methylcarbamate
Also Known As: 4-Hydroxycarbaryl sulfate, (4-sulfooxynaphthalen-1-yl) N-methylcarbamate, 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate, 4-(Sulfooxy)naphthalen-1-yl methylcarbamate, 1,4-Naphthalenediol, hydrogen sulfate methylcarbamate
| Molecular Formula | C12H11NO6S |
|---|---|
| Molecular Weight | 297.03 g/mol |
| LogP | 1.7396 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0307 |
| Heavy Atoms | 20 |
| Complexity | 755.63165 |
Chemical Identifiers
| CAS Number | 3197-93-1 |
|---|---|
| SMILES | CNC(=O)OC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)O |
Product Overview
1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate (CAS 3197-93-1), with molecular formula C12H11NO6S and molecular weight 297.03 g/mol. IUPAC: (4-sulfooxynaphthalen-1-yl) N-methylcarbamate.
Chemical Property Profile of 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate
Property Insights of 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate
The XLogP value of 1.7396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate. Following Lipinski's Rule of Five, 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate has 2 hydrogen bond donor(s) and 5 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 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate?
The CAS number of 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate is 3197-93-1.
What is the molecular formula of 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate?
The molecular formula of 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate is C12H11NO6S.
What is the molecular weight of 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate?
The molecular weight of 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate is 297.03 g/mol.
Where can I buy 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate?
You can request a quote for 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenediol, hydrogen sulfate, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.