ChemDiv1_019313
TL;DR: ChemDiv1_019313 (CAS 1093230-52-4) is a chemical compound with molecular formula C31H36O13 and molecular weight 616.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[3-hydroxy-4-[2-(4-propan-2-yloxyphenyl)acetyl]phenoxy]oxan-2-yl]methyl acetate
Also Known As: ChemDiv1_019313, F0013-0946, (2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-(3-hydroxy-4-(2-(4-isopropoxyphenyl)acetyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate, [3,4,5-triacetyloxy-6-[3-hydroxy-4-[2-(4-propan-2-yloxyphenyl)acetyl]phenoxy]oxan-2-yl]methyl acetate, [3,4,5-tris(acetyloxy)-6-(3-hydroxy-4-{2-[4-(propan-2-yloxy)phenyl]acetyl}phenoxy)oxan-2-yl]methyl acetate
| Molecular Formula | C31H36O13 |
|---|---|
| Molecular Weight | 616.22 g/mol |
| LogP | 3.0667 |
| Topological Polar Surface Area | 170.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 616.2156 |
| Heavy Atoms | 44 |
| Complexity | 1350.8363 |
Chemical Identifiers
| CAS Number | 1093230-52-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O |
Product Overview
ChemDiv1_019313 (CAS 1093230-52-4), with molecular formula C31H36O13 and molecular weight 616.22 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[3-hydroxy-4-[2-(4-propan-2-yloxyphenyl)acetyl]phenoxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of ChemDiv1_019313
Property Insights of ChemDiv1_019313
The XLogP value of 3.0667 indicates that ChemDiv1_019313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.19 Ų indicates high polarity, suggesting ChemDiv1_019313 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_019313 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_019313?
The CAS number of ChemDiv1_019313 is 1093230-52-4.
What is the molecular formula of ChemDiv1_019313?
The molecular formula of ChemDiv1_019313 is C31H36O13.
What is the molecular weight of ChemDiv1_019313?
The molecular weight of ChemDiv1_019313 is 616.22 g/mol.
Where can I buy ChemDiv1_019313?
You can request a quote for ChemDiv1_019313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019313?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.