Acetyltumidulin
TL;DR: Acetyltumidulin (CAS 5859-24-5) is a chemical compound with molecular formula C23H20Cl2O10 and molecular weight 526.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-4-methoxycarbonyl-5-methylphenyl) 2,4-diacetyloxy-3,5-dichloro-6-methylbenzoate
Also Known As: Acetyltumidulin, 2,4-bis -3,5-dichloro-6-methylbenzoicacid3-4-5-methylphenylester, .beta.-Resorcylic acid, 3,5-dichloro-6-methyl-, 4-ester with methyl 6-methyl-.beta.-resorcylate, triacetate, 2,4-Bis -3,5-dichloro-6-methylbenzoicacid3- -4- -5-methylphenylester, 2,4-Bis(acetyloxy)-3,5-dichloro-6-methylbenzoic acid 3-(acetyloxy)-4-(methoxycarbonyl)-5-methylphenyl ester
| Molecular Formula | C23H20Cl2O10 |
|---|---|
| Molecular Weight | 526.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 526.04333 |
| Heavy Atoms | 35 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 5859-24-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)OC)OC(=O)C)OC(=O)C2=C(C(=C(C(=C2OC(=O)C)Cl)OC(=O)C)Cl)C |
| InChIKey | FOVMRCTVXSTSIR-UHFFFAOYSA-N |
Product Overview
Acetyltumidulin (CAS 5859-24-5), with molecular formula C23H20Cl2O10 and molecular weight 526.04 g/mol. IUPAC: (3-acetyloxy-4-methoxycarbonyl-5-methylphenyl) 2,4-diacetyloxy-3,5-dichloro-6-methylbenzoate.
Chemical Property Profile of Acetyltumidulin
Property Insights of Acetyltumidulin
The XLogP value of 4.4 indicates that Acetyltumidulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyltumidulin. Following Lipinski's Rule of Five, Acetyltumidulin has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyltumidulin?
The CAS number of Acetyltumidulin is 5859-24-5.
What is the molecular formula of Acetyltumidulin?
The molecular formula of Acetyltumidulin is C23H20Cl2O10.
What is the molecular weight of Acetyltumidulin?
The molecular weight of Acetyltumidulin is 526.04 g/mol.
Where can I buy Acetyltumidulin?
You can request a quote for Acetyltumidulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyltumidulin?
Yes, KEHONG BIO provides custom synthesis services for Acetyltumidulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.