N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine
TL;DR: N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine (CAS 131979-73-2) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
Also Known As: F0703-0100, N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine, N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzenesulfonamide, N-[(1E)-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]benzenesulfonamide, oxo[(E)-5-oxo-p-mentha-1(6),3-dien-2-ylideneamino](phenyl)-lambda-sulfaniumolate
| Molecular Formula | C16H17NO3S |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.09293 |
| Heavy Atoms | 21 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 131979-73-2 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC1=NS(=O)(=O)C2=CC=CC=C2)C(C)C |
| InChIKey | GYIMAAOCKRVUQH-UHFFFAOYSA-N |
Product Overview
N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine (CAS 131979-73-2), with molecular formula C16H17NO3S and molecular weight 303.09 g/mol. IUPAC: N-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)benzenesulfonamide.
Chemical Property Profile of N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine
Property Insights of N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine. Following Lipinski's Rule of Five, N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine has 0 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 N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine?
The CAS number of N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine is 131979-73-2.
What is the molecular formula of N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine?
The molecular formula of N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine is C16H17NO3S.
What is the molecular weight of N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine?
The molecular weight of N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine is 303.09 g/mol.
Where can I buy N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine?
You can request a quote for N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine?
Yes, KEHONG BIO provides custom synthesis services for N-phenylsulfonyl-5-isopropyl-2-methyl-1,4-benzoquinone monoimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.