methyltetrapropylenebenzenesulphonate
TL;DR: methyltetrapropylenebenzenesulphonate (CAS 84731-62-4) is a chemical compound with molecular formula C19H24O3S and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2',3,7,7,13-pentamethylspiro[12-oxa-11λ6-thiatetracyclo[8.4.0.02,5.06,9]tetradeca-1(10),2(5),6(9)-triene-8,1'-cyclopropane] 11,11-dioxide
Also Known As: methyltetrapropylenebenzenesulphonate
| Molecular Formula | C19H24O3S |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.14462 |
| Heavy Atoms | 23 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 84731-62-4 |
|---|---|
| SMILES | CC1CC2=C1C3=C(C4=C2C(C45CC5C)(C)C)S(=O)(=O)OC(C3)C |
| InChIKey | IJWMFOIFAWVDTG-UHFFFAOYSA-N |
Product Overview
methyltetrapropylenebenzenesulphonate (CAS 84731-62-4), with molecular formula C19H24O3S and molecular weight 332.14 g/mol. IUPAC: 2',3,7,7,13-pentamethylspiro[12-oxa-11λ6-thiatetracyclo[8.4.0.02,5.06,9]tetradeca-1(10),2(5),6(9)-triene-8,1'-cyclopropane] 11,11-dioxide.
Chemical Property Profile of methyltetrapropylenebenzenesulphonate
Property Insights of methyltetrapropylenebenzenesulphonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyltetrapropylenebenzenesulphonate. With a topological polar surface area (TPSA) of 51.8 Ų, methyltetrapropylenebenzenesulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyltetrapropylenebenzenesulphonate has 0 hydrogen bond donor(s) and 3 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 methyltetrapropylenebenzenesulphonate?
The CAS number of methyltetrapropylenebenzenesulphonate is 84731-62-4.
What is the molecular formula of methyltetrapropylenebenzenesulphonate?
The molecular formula of methyltetrapropylenebenzenesulphonate is C19H24O3S.
What is the molecular weight of methyltetrapropylenebenzenesulphonate?
The molecular weight of methyltetrapropylenebenzenesulphonate is 332.14 g/mol.
Where can I buy methyltetrapropylenebenzenesulphonate?
You can request a quote for methyltetrapropylenebenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyltetrapropylenebenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for methyltetrapropylenebenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.