十二烷基苯磺酸
TL;DR: 十二烷基苯磺酸 (CAS 27176-87-0) is a chemical compound with molecular formula C54H90O9S3 and molecular weight 978.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十二烷基苯磺酸
2-dodecylbenzenesulfonic acid;3-dodecylbenzenesulfonic acid;4-dodecylbenzenesulfonic acid
Also Known As: Dodecylbenzenesulfonic acid
| Molecular Formula | C54H90O9S3 |
|---|---|
| Molecular Weight | 978.57 g/mol |
| LogP | 18.429 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 36 |
| Exact Mass | 978.5747 |
| Heavy Atoms | 66 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 27176-87-0 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O |
| InChIKey | GQOZDMBWGLMZKL-UHFFFAOYSA-N |
Product Overview
十二烷基苯磺酸 (CAS 27176-87-0), with molecular formula C54H90O9S3 and molecular weight 978.57 g/mol. IUPAC: 2-dodecylbenzenesulfonic acid;3-dodecylbenzenesulfonic acid;4-dodecylbenzenesulfonic acid.
Chemical Property Profile of 十二烷基苯磺酸
Property Insights of 十二烷基苯磺酸
The XLogP value of 18.429 indicates that 十二烷基苯磺酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.0 Ų indicates high polarity, suggesting 十二烷基苯磺酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 十二烷基苯磺酸 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 十二烷基苯磺酸?
The CAS number of 十二烷基苯磺酸 is 27176-87-0.
What is the molecular formula of 十二烷基苯磺酸?
The molecular formula of 十二烷基苯磺酸 is C54H90O9S3.
What is the molecular weight of 十二烷基苯磺酸?
The molecular weight of 十二烷基苯磺酸 is 978.57 g/mol.
Where can I buy 十二烷基苯磺酸?
You can request a quote for 十二烷基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十二烷基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 十二烷基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.