4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone
TL;DR: 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone (CAS 138833-52-0) is a chemical compound with molecular formula C17H16N4O5S2 and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)amino]benzenesulfonamide
Also Known As: 4-Etdsmb, 4(n-5-methoxy-1,2-benzoquinone, 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)amino]benzenesulfonamide, N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-N-sulfanilamido-5-methoxy-1,2-benzoquinone
| Molecular Formula | C17H16N4O5S2 |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.0562 |
| Heavy Atoms | 28 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 138833-52-0 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC3=CC(=O)C(=O)C=C3OC |
| InChIKey | XFCWHKGIJSOFLE-UHFFFAOYSA-N |
Product Overview
4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone (CAS 138833-52-0), with molecular formula C17H16N4O5S2 and molecular weight 420.06 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)amino]benzenesulfonamide.
Chemical Property Profile of 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone
Property Insights of 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone. The TPSA of 164.0 Ų indicates high polarity, suggesting 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone has 2 hydrogen bond donor(s) and 10 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 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone?
The CAS number of 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone is 138833-52-0.
What is the molecular formula of 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone?
The molecular formula of 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone is C17H16N4O5S2.
What is the molecular weight of 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone?
The molecular weight of 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone is 420.06 g/mol.
Where can I buy 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone?
You can request a quote for 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 4(N-(5-ethyl-1-thia-3,4-diazol-2-yl)sulfophenylamino)-5-methoxy-1,2-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.