2-苄基-4,6-二甲基苯磺酸
TL;DR: 2-苄基-4,6-二甲基苯磺酸 (CAS 19202-43-8) is a chemical compound with molecular formula C15H16O3S and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苄基-4,6-二甲基苯磺酸
2-benzyl-4,6-dimethylbenzenesulfonic acid
Also Known As: 2-benzyl-4,6-dimethylbenzenesulfonic acid, 2-Benzyl-4,6-dimethylbenzene-1-sulfonic acid
| Molecular Formula | C15H16O3S |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.082 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 19202-43-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)CC2=CC=CC=C2)S(=O)(=O)O)C |
| InChIKey | PACDQWFBTMAARY-UHFFFAOYSA-N |
Product Overview
2-苄基-4,6-二甲基苯磺酸 (CAS 19202-43-8), with molecular formula C15H16O3S and molecular weight 276.08 g/mol. IUPAC: 2-benzyl-4,6-dimethylbenzenesulfonic acid.
Chemical Property Profile of 2-苄基-4,6-二甲基苯磺酸
Property Insights of 2-苄基-4,6-二甲基苯磺酸
The XLogP value of 3.3 indicates that 2-苄基-4,6-二甲基苯磺酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-苄基-4,6-二甲基苯磺酸. Following Lipinski's Rule of Five, 2-苄基-4,6-二甲基苯磺酸 has 1 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 2-苄基-4,6-二甲基苯磺酸?
The CAS number of 2-苄基-4,6-二甲基苯磺酸 is 19202-43-8.
What is the molecular formula of 2-苄基-4,6-二甲基苯磺酸?
The molecular formula of 2-苄基-4,6-二甲基苯磺酸 is C15H16O3S.
What is the molecular weight of 2-苄基-4,6-二甲基苯磺酸?
The molecular weight of 2-苄基-4,6-二甲基苯磺酸 is 276.08 g/mol.
Where can I buy 2-苄基-4,6-二甲基苯磺酸?
You can request a quote for 2-苄基-4,6-二甲基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苄基-4,6-二甲基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 2-苄基-4,6-二甲基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.