EINECS 273-485-1
TL;DR: EINECS 273-485-1 (CAS 68978-46-1) is a chemical compound with molecular formula C49H58N8O7S2 and molecular weight 934.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-octadecyl-2-[4-[[2-[4-[2-oxo-5-(1-phenyltetrazol-5-yl)sulfanyl-5H-1,3-oxazol-4-yl]phenoxy]acetyl]amino]phenyl]benzimidazole-5-sulfonic acid
Also Known As: EINECS 273-485-1, 2-(4-(((4-(2,5-Dihydro-2-oxo-5-((1-phenyl-1H-tetrazol-5-yl)thio)-4-oxazolyl)phenoxy)acetyl)amino)phenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid, 1-octadecyl-2-[4-[[2-[4-[2-oxo-5-(1-phenyltetrazol-5-yl)sulfanyl-5H-1,3-oxazol-4-yl]phenoxy]acetyl]amino]phenyl]benzimidazole-5-sulfonic acid, 1-octadecyl-2-{4-[2-(4-{2-oxo-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-2,5-dihydro-1,3-oxazol-4-yl}phenoxy)acetamido]phenyl}-1H-1,3-benzodiazole-5-sulfonic acid, 1-Octadecyl-2-{4-[2-(4-{2-oxo-5-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-2,5-dihydro-1,3-oxazol-4-yl}phenoxy)acetamido]phenyl}-1H-1,3-benzimidazole-5-sulfonic acid
| Molecular Formula | C49H58N8O7S2 |
|---|---|
| Molecular Weight | 934.39 g/mol |
| LogP | 11.2624 |
| Topological Polar Surface Area | 192.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 27 |
| Exact Mass | 934.38696 |
| Heavy Atoms | 66 |
| Complexity | 2652.072 |
Chemical Identifiers
| CAS Number | 68978-46-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1C3=CC=C(C=C3)NC(=O)COC4=CC=C(C=C4)C5=NC(=O)OC5SC6=NN=NN6C7=CC=CC=C7 |
Product Overview
EINECS 273-485-1 (CAS 68978-46-1), with molecular formula C49H58N8O7S2 and molecular weight 934.39 g/mol. IUPAC: 1-octadecyl-2-[4-[[2-[4-[2-oxo-5-(1-phenyltetrazol-5-yl)sulfanyl-5H-1,3-oxazol-4-yl]phenoxy]acetyl]amino]phenyl]benzimidazole-5-sulfonic acid.
Chemical Property Profile of EINECS 273-485-1
Property Insights of EINECS 273-485-1
The XLogP value of 11.2624 indicates that EINECS 273-485-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.78 Ų indicates high polarity, suggesting EINECS 273-485-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 273-485-1 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 273-485-1?
The CAS number of EINECS 273-485-1 is 68978-46-1.
What is the molecular formula of EINECS 273-485-1?
The molecular formula of EINECS 273-485-1 is C49H58N8O7S2.
What is the molecular weight of EINECS 273-485-1?
The molecular weight of EINECS 273-485-1 is 934.39 g/mol.
Where can I buy EINECS 273-485-1?
You can request a quote for EINECS 273-485-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 273-485-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 273-485-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.