EINECS 309-036-4
TL;DR: EINECS 309-036-4 (CAS 99769-59-2) is a chemical compound with molecular formula C29H50O11 and molecular weight 574.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diacetyloxy-4-(1-hydroxy-3-octadecanoyloxypropan-2-yl)oxy-4-oxobutanoic acid
Also Known As: 2,3-bis(acetyloxy)-4-{[1-hydroxy-3-(octadecanoyloxy)propan-2-yl]oxy}-4-oxobutanoic acid, (1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl) hydrogen 2,3-diacetoxysuccinate, [1-(Hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl] hydrogen 2,3-diacetoxysuccinate, 2,3-Bis(acetyloxy)butanedioic acid hydrogen 1-[1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl] ester, Butanedioic acid, 2,3-bis(acetyloxy)-, 1-[1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl] ester
| Molecular Formula | C29H50O11 |
|---|---|
| Molecular Weight | 574.34 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 29 |
| Exact Mass | 574.3353 |
| Heavy Atoms | 40 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 99769-59-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)C(C(C(=O)O)OC(=O)C)OC(=O)C |
| InChIKey | BSNLCQCLNQFWST-UHFFFAOYSA-N |
Product Overview
EINECS 309-036-4 (CAS 99769-59-2), with molecular formula C29H50O11 and molecular weight 574.34 g/mol. IUPAC: 2,3-diacetyloxy-4-(1-hydroxy-3-octadecanoyloxypropan-2-yl)oxy-4-oxobutanoic acid.
Chemical Property Profile of EINECS 309-036-4
Property Insights of EINECS 309-036-4
The XLogP value of 7.3 indicates that EINECS 309-036-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting EINECS 309-036-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 309-036-4 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 309-036-4?
The CAS number of EINECS 309-036-4 is 99769-59-2.
What is the molecular formula of EINECS 309-036-4?
The molecular formula of EINECS 309-036-4 is C29H50O11.
What is the molecular weight of EINECS 309-036-4?
The molecular weight of EINECS 309-036-4 is 574.34 g/mol.
Where can I buy EINECS 309-036-4?
You can request a quote for EINECS 309-036-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 309-036-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 309-036-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.