Diacetylcymarol
TL;DR: Diacetylcymarol (CAS 6473-40-1) is a chemical compound with molecular formula C29H30N2O5S2 and molecular weight 550.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] sulfamate
Also Known As: Diacetylcymarol, AP-676/40994525, [2-(2-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] sulfamate, Card-20(22)-enolide, 3-((4-O-acetyl-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-19-(acetyloxy)-5,14-dihydroxy-, (3beta,5beta)-, 2-(2-methylphenyl)-3-{4-[2-(1-piperidinyl)ethoxy]benzoyl}-1-benzothien-6-yl sulfamate
| Molecular Formula | C29H30N2O5S2 |
|---|---|
| Molecular Weight | 550.16 g/mol |
| LogP | 5.55472 |
| Topological Polar Surface Area | 98.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 550.1596 |
| Heavy Atoms | 38 |
| Complexity | 1555.8939 |
Chemical Identifiers
| CAS Number | 6473-40-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)N)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5 |
Product Overview
Diacetylcymarol (CAS 6473-40-1), with molecular formula C29H30N2O5S2 and molecular weight 550.16 g/mol. IUPAC: [2-(2-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] sulfamate.
Chemical Property Profile of Diacetylcymarol
Property Insights of Diacetylcymarol
The XLogP value of 5.55472 indicates that Diacetylcymarol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacetylcymarol. Following Lipinski's Rule of Five, Diacetylcymarol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diacetylcymarol?
The CAS number of Diacetylcymarol is 6473-40-1.
What is the molecular formula of Diacetylcymarol?
The molecular formula of Diacetylcymarol is C29H30N2O5S2.
What is the molecular weight of Diacetylcymarol?
The molecular weight of Diacetylcymarol is 550.16 g/mol.
Where can I buy Diacetylcymarol?
You can request a quote for Diacetylcymarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetylcymarol?
Yes, KEHONG BIO provides custom synthesis services for Diacetylcymarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.