RefChem:164627
TL;DR: RefChem:164627 (CAS 67970-31-4) is a chemical compound with molecular formula C26H41NO3S and molecular weight 447.28 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;cyclohexanamine
Also Known As: Di-tert-amylnaphthalenesulfonic acid, cyclohexylamine salt, Naphthalenesulfonic acid, bis(1,1-dimethylpropyl)-, compd. with cyclohexanamine (1:1), Di(tert-pentyl)naphthalenesulphonic acid, compound with cyclohexylamine (1:1), 2,3-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid; cyclohexanamine, 2,3-Bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid--cyclohexanamine (1/1)
| Molecular Formula | C26H41NO3S |
|---|---|
| Molecular Weight | 447.28 g/mol |
| LogP | 6.7395 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.2807 |
| Heavy Atoms | 31 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 67970-31-4 |
|---|---|
| SMILES | CCC(C)(C)C1=CC2=CC=CC=C2C(=C1C(C)(C)CC)S(=O)(=O)O.C1CCC(CC1)N |
| InChIKey | VSWDADQCNAKHGC-UHFFFAOYSA-N |
Product Overview
RefChem:164627 (CAS 67970-31-4), with molecular formula C26H41NO3S and molecular weight 447.28 g/mol. IUPAC: 2,3-bis(2-methylbutan-2-yl)naphthalene-1-sulfonic acid;cyclohexanamine.
Chemical Property Profile of RefChem:164627
Property Insights of RefChem:164627
The XLogP value of 6.7395 indicates that RefChem:164627 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:164627. Following Lipinski's Rule of Five, RefChem:164627 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:164627?
The CAS number of RefChem:164627 is 67970-31-4.
What is the molecular formula of RefChem:164627?
The molecular formula of RefChem:164627 is C26H41NO3S.
What is the molecular weight of RefChem:164627?
The molecular weight of RefChem:164627 is 447.28 g/mol.
Where can I buy RefChem:164627?
You can request a quote for RefChem:164627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164627?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.