RefChem:1096849
TL;DR: RefChem:1096849 (CAS 70495-53-3) is a chemical compound with molecular formula C55H83ClO3 and molecular weight 826.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] 2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester, [(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] 2-(4-chlorophenoxy)-2-methylpropanoate, RefChem:1096849
| Molecular Formula | C55H83ClO3 |
|---|---|
| Molecular Weight | 826.60 g/mol |
| LogP | 17.8188 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 29 |
| Exact Mass | 826.6031 |
| Heavy Atoms | 59 |
| Complexity | 1662.2189 |
Chemical Identifiers
| CAS Number | 70495-53-3 |
|---|---|
| SMILES | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)/C)/C)/C)/C)/C)/C)/C)/C)C |
Product Overview
RefChem:1096849 (CAS 70495-53-3), with molecular formula C55H83ClO3 and molecular weight 826.60 g/mol. IUPAC: [(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] 2-(4-chlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of RefChem:1096849
Property Insights of RefChem:1096849
The XLogP value of 17.8188 indicates that RefChem:1096849 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, RefChem:1096849 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096849 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096849?
The CAS number of RefChem:1096849 is 70495-53-3.
What is the molecular formula of RefChem:1096849?
The molecular formula of RefChem:1096849 is C55H83ClO3.
What is the molecular weight of RefChem:1096849?
The molecular weight of RefChem:1096849 is 826.60 g/mol.
Where can I buy RefChem:1096849?
You can request a quote for RefChem:1096849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096849?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.