4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid
TL;DR: 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid (CAS 179762-65-3) is a chemical compound with molecular formula C22H26O3S and molecular weight 370.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfinyl]benzoic acid
Also Known As: 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid, 5-Hydroxy-2,3-dimetoxy-6-phytyl-[1,4]benzochinon, Benzoic acid, 4-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)-, 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfinyl]benzoic acid, 4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalene-2-sulfinyl)-benzoic acid
| Molecular Formula | C22H26O3S |
|---|---|
| Molecular Weight | 370.16 g/mol |
| LogP | 5.20892 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.16028 |
| Heavy Atoms | 26 |
| Complexity | 892.3485 |
Chemical Identifiers
| CAS Number | 179762-65-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1S(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C |
Product Overview
4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid (CAS 179762-65-3), with molecular formula C22H26O3S and molecular weight 370.16 g/mol. IUPAC: 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfinyl]benzoic acid.
Chemical Property Profile of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid
Property Insights of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid
The XLogP value of 5.20892 indicates that 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid?
The CAS number of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid is 179762-65-3.
What is the molecular formula of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid?
The molecular formula of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid is C22H26O3S.
What is the molecular weight of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid?
The molecular weight of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid is 370.16 g/mol.
Where can I buy 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid?
You can request a quote for 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)sulfinyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.