RefChem:164620
TL;DR: RefChem:164620 (CAS 63568-31-0) is a chemical compound with molecular formula C32H55NO7S2 and molecular weight 629.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid;2-(dimethylamino)ethanol
Also Known As: Diisononylnaphthalenedisulfonic acid, compd. with 2-(dimethylamino)ethanol (1:2), Naphthalenedisulfonic acid, diisononyl-, compd. with 2-(dimethylamino)ethanol (1:2), Diisononylnaphthalenedisulphonic acid, compound with 2-(dimethylamino)ethanol (1:2), 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; 2-(dimethylamino)ethanol, EINECS 264-317-8
| Molecular Formula | C32H55NO7S2 |
|---|---|
| Molecular Weight | 629.34 g/mol |
| LogP | 7.1715 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 629.342 |
| Heavy Atoms | 42 |
| Complexity | 854.0 |
Chemical Identifiers
| CAS Number | 63568-31-0 |
|---|---|
| SMILES | CC(C)CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCC(C)C.CN(C)CCO |
| InChIKey | PQORKSTXZZDGOP-UHFFFAOYSA-N |
Product Overview
RefChem:164620 (CAS 63568-31-0), with molecular formula C32H55NO7S2 and molecular weight 629.34 g/mol. IUPAC: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid;2-(dimethylamino)ethanol.
Chemical Property Profile of RefChem:164620
Property Insights of RefChem:164620
The XLogP value of 7.1715 indicates that RefChem:164620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting RefChem:164620 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:164620 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:164620?
The CAS number of RefChem:164620 is 63568-31-0.
What is the molecular formula of RefChem:164620?
The molecular formula of RefChem:164620 is C32H55NO7S2.
What is the molecular weight of RefChem:164620?
The molecular weight of RefChem:164620 is 629.34 g/mol.
Where can I buy RefChem:164620?
You can request a quote for RefChem:164620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164620?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.