Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate
TL;DR: Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate (CAS 59483-97-5) is a chemical compound with molecular formula C16H16O4S and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate
Also Known As: ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate, 3-[(1,4-dihydroxy-2-naphthalenyl)thio]-2-butenoic acid ethyl ester, 3-[(1,4-dihydroxy-2-naphthyl)thio]but-2-enoic acid ethyl ester, ethyl (E)-3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate, ethyl (Z)-3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate
| Molecular Formula | C16H16O4S |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.07693 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 59483-97-5 |
|---|---|
| SMILES | CCOC(=O)C=C(C)SC1=C(C2=CC=CC=C2C(=C1)O)O |
| InChIKey | ZWPCTBYNLWBREY-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate (CAS 59483-97-5), with molecular formula C16H16O4S and molecular weight 304.08 g/mol. IUPAC: ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate.
Chemical Property Profile of Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate
Property Insights of Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate
The XLogP value of 3.7 indicates that Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate 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 Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate?
The CAS number of Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate is 59483-97-5.
What is the molecular formula of Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate?
The molecular formula of Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate is C16H16O4S.
What is the molecular weight of Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate?
The molecular weight of Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate is 304.08 g/mol.
Where can I buy Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate?
You can request a quote for Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.