3-Decaprenyl-4-hydroxybenzoate
TL;DR: 3-Decaprenyl-4-hydroxybenzoate (CAS 636-57-7) is a chemical compound with molecular formula C57H86O3 and molecular weight 818.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4-hydroxybenzoic acid
Also Known As: 3-Decaprenyl-4-hydroxybenzoate, 3-Decaprenyl-4-hydroxybenzoic acid, 4-hydroxy-3-all-trans-decaprenylbenzoic acid, 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4-hydroxybenzoic acid, 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxybenzoic acid
| Molecular Formula | C57H86O3 |
|---|---|
| Molecular Weight | 818.66 g/mol |
| LogP | 18.1376 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 30 |
| Exact Mass | 818.6577 |
| Heavy Atoms | 60 |
| Complexity | 1752.8928 |
Chemical Identifiers
| CAS Number | 636-57-7 |
|---|---|
| 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/CC/C(=C/CC1=C(C=CC(=C1)C(=O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C |
Product Overview
3-Decaprenyl-4-hydroxybenzoate (CAS 636-57-7), with molecular formula C57H86O3 and molecular weight 818.66 g/mol. IUPAC: 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4-hydroxybenzoic acid.
Chemical Property Profile of 3-Decaprenyl-4-hydroxybenzoate
Property Insights of 3-Decaprenyl-4-hydroxybenzoate
The XLogP value of 18.1376 indicates that 3-Decaprenyl-4-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 3-Decaprenyl-4-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Decaprenyl-4-hydroxybenzoate has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Decaprenyl-4-hydroxybenzoate?
The CAS number of 3-Decaprenyl-4-hydroxybenzoate is 636-57-7.
What is the molecular formula of 3-Decaprenyl-4-hydroxybenzoate?
The molecular formula of 3-Decaprenyl-4-hydroxybenzoate is C57H86O3.
What is the molecular weight of 3-Decaprenyl-4-hydroxybenzoate?
The molecular weight of 3-Decaprenyl-4-hydroxybenzoate is 818.66 g/mol.
Where can I buy 3-Decaprenyl-4-hydroxybenzoate?
You can request a quote for 3-Decaprenyl-4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Decaprenyl-4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Decaprenyl-4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.