Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate)
TL;DR: Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate) (CAS 71292-17-6) is a chemical compound with molecular formula C12H11NO7S and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-1-sulfooxynaphthalen-2-yl) N-methylcarbamate
Also Known As: Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate), 3-Hydroxy-1-(sulfooxy)naphthalen-2-yl methylcarbamate, (3-hydroxy-1-sulfooxynaphthalen-2-yl) N-methylcarbamate
| Molecular Formula | C12H11NO7S |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.02563 |
| Heavy Atoms | 21 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 71292-17-6 |
|---|---|
| SMILES | CNC(=O)OC1=C(C2=CC=CC=C2C=C1O)OS(=O)(=O)O |
| InChIKey | NUBWFRJTRHGOGG-UHFFFAOYSA-N |
Product Overview
Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate) (CAS 71292-17-6), with molecular formula C12H11NO7S and molecular weight 313.03 g/mol. IUPAC: (3-hydroxy-1-sulfooxynaphthalen-2-yl) N-methylcarbamate.
Chemical Property Profile of Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate)
Property Insights of Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate). The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate). Following Lipinski's Rule of Five, Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate) has 3 hydrogen bond donor(s) and 7 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 Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate)?
The CAS number of Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate) is 71292-17-6.
What is the molecular formula of Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate)?
The molecular formula of Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate) is C12H11NO7S.
What is the molecular weight of Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate)?
The molecular weight of Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate) is 313.03 g/mol.
Where can I buy Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate)?
You can request a quote for Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for Naphthalenetriol, mono(hydrogen sulfate) mono(methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.