![6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate structure](/static/products/859/85995-87-5.png)
6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate
TL;DR: 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate (CAS 85995-87-5) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate
Also Known As: EINECS 289-096-5, Hexanedioic acid, di-C6-10-branched and linear alkyl esters, 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 4.6481 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 301.46228 |
Chemical Identifiers
| CAS Number | 85995-87-5 |
|---|---|
| SMILES | CCC[C@@H](CC)OC(=O)CCCCC(=O)OCC[C@H](C)CC |
Product Overview
6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate (CAS 85995-87-5), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate.
Chemical Property Profile of 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate
Property Insights of 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate
The XLogP value of 4.6481 indicates that 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate?
The CAS number of 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate is 85995-87-5.
What is the molecular formula of 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate?
The molecular formula of 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate is C18H34O4.
What is the molecular weight of 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate?
The molecular weight of 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate is 314.25 g/mol.
Where can I buy 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate?
You can request a quote for 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 6-O-[(3R)-hexan-3-yl] 1-O-[(3R)-3-methylpentyl] hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.