RefChem:122112
TL;DR: RefChem:122112 (CAS 61791-35-3) is a chemical compound with molecular formula C6H9NNa2O7S and molecular weight 284.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-(2-hydroxyethylamino)-4-oxo-2-sulfonatobutanoate
Also Known As: EINECS 263-168-6, Butanoic acid, 4-((2-hydroxyethyl)amino)-4-oxosulfo-, N-tallow alkyl derivs., disodium salts, disodium 4-(2-hydroxyethylamino)-4-oxo-2-sulfonatobutanoate, Butanoic acid, 4-[(2-hydroxyethyl)amino]-4-oxosulfo-, N-tallow alkyl derivs., disodium salts, 263-168-6
| Molecular Formula | C6H9NNa2O7S |
|---|---|
| Molecular Weight | 284.99 g/mol |
| LogP | -9.8433 |
| Topological Polar Surface Area | 146.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.9895 |
| Heavy Atoms | 17 |
| Complexity | 344.27307 |
Chemical Identifiers
| CAS Number | 61791-35-3 |
|---|---|
| SMILES | C(CO)NC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
RefChem:122112 (CAS 61791-35-3), with molecular formula C6H9NNa2O7S and molecular weight 284.99 g/mol. IUPAC: disodium;4-(2-hydroxyethylamino)-4-oxo-2-sulfonatobutanoate.
Chemical Property Profile of RefChem:122112
Property Insights of RefChem:122112
The XLogP value of -9.8433 indicates that RefChem:122112 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.66 Ų indicates high polarity, suggesting RefChem:122112 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:122112 has 2 hydrogen bond donor(s) and 7 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 RefChem:122112?
The CAS number of RefChem:122112 is 61791-35-3.
What is the molecular formula of RefChem:122112?
The molecular formula of RefChem:122112 is C6H9NNa2O7S.
What is the molecular weight of RefChem:122112?
The molecular weight of RefChem:122112 is 284.99 g/mol.
Where can I buy RefChem:122112?
You can request a quote for RefChem:122112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:122112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:122112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.