EINECS 253-914-9
TL;DR: EINECS 253-914-9 (CAS 38407-79-3) is a chemical compound with molecular formula C31H44N4O5S2 and molecular weight 616.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecoxy-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzenesulfonic acid
Also Known As: EINECS 253-914-9, 2-(Hexadecyloxy)-5-(((1-phenyl-1H-tetrazol-5-yl)thio)acetyl)benzenesulphonic acid, 2-(HEXADECYLOXY)-5-[[(1-PHENYL-1H-TETRAZOL-5-YL)THIO]ACETYL]BENZENESULFONIC ACID, 2-hexadecoxy-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzenesulfonic acid, 2-(hexadecyloxy)-5-[[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl]benzenesulphonic acid
| Molecular Formula | C31H44N4O5S2 |
|---|---|
| Molecular Weight | 616.28 g/mol |
| LogP | 7.7441 |
| Topological Polar Surface Area | 124.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Exact Mass | 616.2753 |
| Heavy Atoms | 42 |
| Complexity | 1315.87 |
Chemical Identifiers
| CAS Number | 38407-79-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)S(=O)(=O)O |
Product Overview
EINECS 253-914-9 (CAS 38407-79-3), with molecular formula C31H44N4O5S2 and molecular weight 616.28 g/mol. IUPAC: 2-hexadecoxy-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzenesulfonic acid.
Chemical Property Profile of EINECS 253-914-9
Property Insights of EINECS 253-914-9
The XLogP value of 7.7441 indicates that EINECS 253-914-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.27 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 253-914-9. Following Lipinski's Rule of Five, EINECS 253-914-9 has 1 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 EINECS 253-914-9?
The CAS number of EINECS 253-914-9 is 38407-79-3.
What is the molecular formula of EINECS 253-914-9?
The molecular formula of EINECS 253-914-9 is C31H44N4O5S2.
What is the molecular weight of EINECS 253-914-9?
The molecular weight of EINECS 253-914-9 is 616.28 g/mol.
Where can I buy EINECS 253-914-9?
You can request a quote for EINECS 253-914-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 253-914-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 253-914-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.