RefChem:164626
TL;DR: RefChem:164626 (CAS 68039-67-8) is a chemical compound with molecular formula C24H39NO3S and molecular weight 421.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid;butan-1-amine
Also Known As: Di-tert-amylnaphthalenesulfonic acid, butylamine salt, Naphthalenesulfonic acid, bis(1,1-dimethylpropyl)-, compd. with 1-butanamine (1:1), Di(tert-pentyl)naphthalenesulphonic acid, compound with butylamine(1:1), 2,3-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid; butan-1-amine, Di(tert-pentyl)naphthalenesulphonic acid, compound with butylamine (1:1)
| Molecular Formula | C24H39NO3S |
|---|---|
| Molecular Weight | 421.27 g/mol |
| LogP | 6.2069 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.26508 |
| Heavy Atoms | 29 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 68039-67-8 |
|---|---|
| SMILES | CCCCN.CCC(C)(C)C1=CC2=CC=CC=C2C(=C1C(C)(C)CC)S(=O)(=O)O |
| InChIKey | AOGCOXLJYRCVPB-UHFFFAOYSA-N |
Product Overview
RefChem:164626 (CAS 68039-67-8), with molecular formula C24H39NO3S and molecular weight 421.27 g/mol. IUPAC: 2,3-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid;butan-1-amine.
Chemical Property Profile of RefChem:164626
Property Insights of RefChem:164626
The XLogP value of 6.2069 indicates that RefChem:164626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164626. Following Lipinski's Rule of Five, RefChem:164626 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:164626?
The CAS number of RefChem:164626 is 68039-67-8.
What is the molecular formula of RefChem:164626?
The molecular formula of RefChem:164626 is C24H39NO3S.
What is the molecular weight of RefChem:164626?
The molecular weight of RefChem:164626 is 421.27 g/mol.
Where can I buy RefChem:164626?
You can request a quote for RefChem:164626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164626?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.