Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide
TL;DR: Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide (CAS 40226-77-5) is a chemical compound with molecular formula C11H11NO4S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-2,3-dihydrothiophen-3-yl) N-phenylcarbamate
Also Known As: Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide, (1,1-dioxo-2,3-dihydrothiophen-3-yl) N-phenylcarbamate, (1,1-dioxo(3-2,3-dihydrothienyloxy))-N-benzamide, 1,1-Dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl phenylcarbamate
| Molecular Formula | C11H11NO4S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 1.5458 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.04088 |
| Heavy Atoms | 17 |
| Complexity | 535.8497 |
Chemical Identifiers
| CAS Number | 40226-77-5 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)OC(=O)NC2=CC=CC=C2 |
Product Overview
Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide (CAS 40226-77-5), with molecular formula C11H11NO4S and molecular weight 253.04 g/mol. IUPAC: (1,1-dioxo-2,3-dihydrothiophen-3-yl) N-phenylcarbamate.
Chemical Property Profile of Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide
Property Insights of Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide
The XLogP value of 1.5458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide. Following Lipinski's Rule of Five, Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide has 1 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 Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide?
The CAS number of Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide is 40226-77-5.
What is the molecular formula of Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide?
The molecular formula of Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide is C11H11NO4S.
What is the molecular weight of Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide?
The molecular weight of Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide is 253.04 g/mol.
Where can I buy Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide?
You can request a quote for Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thiophene-3-ol, 2,3-dihydro-, phenylcarbamate, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.