1,2,5-Naphthalenetriol, 5-methylcarbamate
TL;DR: 1,2,5-Naphthalenetriol, 5-methylcarbamate (CAS 28080-54-8) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,6-dihydroxynaphthalen-1-yl) N-methylcarbamate
Also Known As: 5,6-dihydroxynaphthalen-1-yl methylcarbamate, 1,2,5-Naphthalenetriol, 5-methylcarbamate, (5,6-dihydroxynaphthalen-1-yl) N-methylcarbamate, 1,2,5-Naphthalenetriol, 5-(N-methylcarbamate), 5,6-Dihydroxynaphthalen-1-yl hydrogen methylcarbonimidate
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 28080-54-8 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC2=C1C=CC(=C2O)O |
| InChIKey | MJELCHIDPLLABS-UHFFFAOYSA-N |
Product Overview
1,2,5-Naphthalenetriol, 5-methylcarbamate (CAS 28080-54-8), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: (5,6-dihydroxynaphthalen-1-yl) N-methylcarbamate.
Chemical Property Profile of 1,2,5-Naphthalenetriol, 5-methylcarbamate
Property Insights of 1,2,5-Naphthalenetriol, 5-methylcarbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,5-Naphthalenetriol, 5-methylcarbamate. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,5-Naphthalenetriol, 5-methylcarbamate. Following Lipinski's Rule of Five, 1,2,5-Naphthalenetriol, 5-methylcarbamate has 3 hydrogen bond donor(s) and 4 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 1,2,5-Naphthalenetriol, 5-methylcarbamate?
The CAS number of 1,2,5-Naphthalenetriol, 5-methylcarbamate is 28080-54-8.
What is the molecular formula of 1,2,5-Naphthalenetriol, 5-methylcarbamate?
The molecular formula of 1,2,5-Naphthalenetriol, 5-methylcarbamate is C12H11NO4.
What is the molecular weight of 1,2,5-Naphthalenetriol, 5-methylcarbamate?
The molecular weight of 1,2,5-Naphthalenetriol, 5-methylcarbamate is 233.07 g/mol.
Where can I buy 1,2,5-Naphthalenetriol, 5-methylcarbamate?
You can request a quote for 1,2,5-Naphthalenetriol, 5-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,5-Naphthalenetriol, 5-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,5-Naphthalenetriol, 5-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.