RefChem:269918
TL;DR: RefChem:269918 (CAS 893766-07-9) is a chemical compound with molecular formula C23H20O9S2 and molecular weight 504.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-(1,3-benzodioxol-5-yl)-1-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate
Also Known As: A4084/0174065, 3,3'-Dimethyl 5,5'-[2-(1,3-benzodioxol-5-yl)-2-oxoethylidene]bis[4-hydroxy-2-methyl-3-thiophenecarboxylate], dimethyl 5,5'-[2-(1,3-benzodioxol-5-yl)-2-oxoethane-1,1-diyl]bis(4-hydroxy-2-methylthiophene-3-carboxylate), methyl 5-[2-(1,3-benzodioxol-5-yl)-1-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate, 3,3'-Dimethyl 5,5'-(2-(1,3-benzodioxol-5-yl)-2-oxoethylidene)bis(4-hydroxy-2-methyl-3-thiophenecarboxylate)
| Molecular Formula | C23H20O9S2 |
|---|---|
| Molecular Weight | 504.05 g/mol |
| LogP | 4.15434 |
| Topological Polar Surface Area | 128.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.05487 |
| Heavy Atoms | 34 |
| Complexity | 1252.1804 |
Chemical Identifiers
| CAS Number | 893766-07-9 |
|---|---|
| SMILES | CC1=C(C(=C(S1)C(C2=C(C(=C(S2)C)C(=O)OC)O)C(=O)C3=CC4=C(C=C3)OCO4)O)C(=O)OC |
Product Overview
RefChem:269918 (CAS 893766-07-9), with molecular formula C23H20O9S2 and molecular weight 504.05 g/mol. IUPAC: methyl 5-[2-(1,3-benzodioxol-5-yl)-1-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate.
Chemical Property Profile of RefChem:269918
Property Insights of RefChem:269918
The XLogP value of 4.15434 indicates that RefChem:269918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.59 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:269918. Following Lipinski's Rule of Five, RefChem:269918 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 RefChem:269918?
The CAS number of RefChem:269918 is 893766-07-9.
What is the molecular formula of RefChem:269918?
The molecular formula of RefChem:269918 is C23H20O9S2.
What is the molecular weight of RefChem:269918?
The molecular weight of RefChem:269918 is 504.05 g/mol.
Where can I buy RefChem:269918?
You can request a quote for RefChem:269918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:269918?
Yes, KEHONG BIO provides custom synthesis services for RefChem:269918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.