EINECS 286-113-8
TL;DR: EINECS 286-113-8 (CAS 85187-25-3) is a chemical compound with molecular formula C32H53N3O5S and molecular weight 591.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1-benzyl-5-oxo-4H-pyrazol-3-yl)amino]-1-oxodocosane-2-sulfonic acid
Also Known As: EINECS 286-113-8, 1-((1-Benzyl-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)amino)-1-oxodocosane-2-sulphonic acid, 1-[(1-benzyl-5-oxo-4H-pyrazol-3-yl)amino]-1-oxodocosane-2-sulfonic acid, 1-[(1-benzyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)carbamoyl]henicosane-1-sulfonic acid, 1-[(1-Benzyl-5-oxopyrazolidin-3-ylidene)amino]-1-oxodocosane-2-sulfonic acid
| Molecular Formula | C32H53N3O5S |
|---|---|
| Molecular Weight | 591.37 g/mol |
| LogP | 7.5368 |
| Topological Polar Surface Area | 116.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 23 |
| Exact Mass | 591.3706 |
| Heavy Atoms | 41 |
| Complexity | 1013.41956 |
Chemical Identifiers
| CAS Number | 85187-25-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCC(C(=O)NC1=NN(C(=O)C1)CC2=CC=CC=C2)S(=O)(=O)O |
Product Overview
EINECS 286-113-8 (CAS 85187-25-3), with molecular formula C32H53N3O5S and molecular weight 591.37 g/mol. IUPAC: 1-[(1-benzyl-5-oxo-4H-pyrazol-3-yl)amino]-1-oxodocosane-2-sulfonic acid.
Chemical Property Profile of EINECS 286-113-8
Property Insights of EINECS 286-113-8
The XLogP value of 7.5368 indicates that EINECS 286-113-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.14 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 286-113-8. Following Lipinski's Rule of Five, EINECS 286-113-8 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 286-113-8?
The CAS number of EINECS 286-113-8 is 85187-25-3.
What is the molecular formula of EINECS 286-113-8?
The molecular formula of EINECS 286-113-8 is C32H53N3O5S.
What is the molecular weight of EINECS 286-113-8?
The molecular weight of EINECS 286-113-8 is 591.37 g/mol.
Where can I buy EINECS 286-113-8?
You can request a quote for EINECS 286-113-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 286-113-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 286-113-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.