3-Pentadecyl-5-(phenylsulfonyl)catechol
TL;DR: 3-Pentadecyl-5-(phenylsulfonyl)catechol (CAS 75776-34-0) is a chemical compound with molecular formula C27H40O4S and molecular weight 460.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-3-pentadecylbenzene-1,2-diol
Also Known As: 3-Pentadecyl-5-(phenylsulfonyl)catechol, 5-(benzenesulfonyl)-3-pentadecylbenzene-1,2-diol, 1,2-Benzenediol, 3-pentadecyl-5-(phenylsulfonyl)-, 3-pentadecyl-5-phenylsulfonylbenzene-1,2-diol
| Molecular Formula | C27H40O4S |
|---|---|
| Molecular Weight | 460.26 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 460.26474 |
| Heavy Atoms | 32 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 75776-34-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)S(=O)(=O)C2=CC=CC=C2)O)O |
| InChIKey | GRAWLKSKNFRGHC-UHFFFAOYSA-N |
Product Overview
3-Pentadecyl-5-(phenylsulfonyl)catechol (CAS 75776-34-0), with molecular formula C27H40O4S and molecular weight 460.26 g/mol. IUPAC: 5-(benzenesulfonyl)-3-pentadecylbenzene-1,2-diol.
Chemical Property Profile of 3-Pentadecyl-5-(phenylsulfonyl)catechol
Property Insights of 3-Pentadecyl-5-(phenylsulfonyl)catechol
The XLogP value of 9.8 indicates that 3-Pentadecyl-5-(phenylsulfonyl)catechol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pentadecyl-5-(phenylsulfonyl)catechol. Following Lipinski's Rule of Five, 3-Pentadecyl-5-(phenylsulfonyl)catechol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pentadecyl-5-(phenylsulfonyl)catechol?
The CAS number of 3-Pentadecyl-5-(phenylsulfonyl)catechol is 75776-34-0.
What is the molecular formula of 3-Pentadecyl-5-(phenylsulfonyl)catechol?
The molecular formula of 3-Pentadecyl-5-(phenylsulfonyl)catechol is C27H40O4S.
What is the molecular weight of 3-Pentadecyl-5-(phenylsulfonyl)catechol?
The molecular weight of 3-Pentadecyl-5-(phenylsulfonyl)catechol is 460.26 g/mol.
Where can I buy 3-Pentadecyl-5-(phenylsulfonyl)catechol?
You can request a quote for 3-Pentadecyl-5-(phenylsulfonyl)catechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentadecyl-5-(phenylsulfonyl)catechol?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentadecyl-5-(phenylsulfonyl)catechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.