4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate
TL;DR: 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate (CAS 23849-10-7) is a chemical compound with molecular formula C21H30O2S and molecular weight 346.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl) 4-methylbenzenesulfinate
Also Known As: 4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate, 4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenz, 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzene-1-sulfinate
| Molecular Formula | C21H30O2S |
|---|---|
| Molecular Weight | 346.20 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.19666 |
| Heavy Atoms | 24 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 23849-10-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)OC2C3CCC4C3C(CCCC42C)(C)C |
| InChIKey | RALIZLGECMUKNT-UHFFFAOYSA-N |
Product Overview
4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate (CAS 23849-10-7), with molecular formula C21H30O2S and molecular weight 346.20 g/mol. IUPAC: (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl) 4-methylbenzenesulfinate.
Chemical Property Profile of 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate
Property Insights of 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate
The XLogP value of 6.2 indicates that 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate?
The CAS number of 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate is 23849-10-7.
What is the molecular formula of 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate?
The molecular formula of 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate is C21H30O2S.
What is the molecular weight of 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate?
The molecular weight of 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate is 346.20 g/mol.
Where can I buy 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate?
You can request a quote for 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate?
Yes, KEHONG BIO provides custom synthesis services for 4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.