BAS 00547231
TL;DR: BAS 00547231 (CAS 356784-08-2) is a chemical compound with molecular formula C20H26O7 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-hydroxy-2-(3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: BAS 00547231, AB00090179-01, diethyl 4-hydroxy-2-(3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 4-Hydroxy-2-(3-methoxy-phenyl)-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylic acid, 1,3-DIETHYL 4-HYDROXY-2-(3-METHOXYPHENYL)-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
| Molecular Formula | C20H26O7 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 1.8612 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.16785 |
| Heavy Atoms | 27 |
| Complexity | 710.0367 |
Chemical Identifiers
| CAS Number | 356784-08-2 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=CC=C2)OC |
Product Overview
BAS 00547231 (CAS 356784-08-2), with molecular formula C20H26O7 and molecular weight 378.17 g/mol. IUPAC: diethyl 4-hydroxy-2-(3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of BAS 00547231
Property Insights of BAS 00547231
The XLogP value of 1.8612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00547231. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00547231. Following Lipinski's Rule of Five, BAS 00547231 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00547231?
The CAS number of BAS 00547231 is 356784-08-2.
What is the molecular formula of BAS 00547231?
The molecular formula of BAS 00547231 is C20H26O7.
What is the molecular weight of BAS 00547231?
The molecular weight of BAS 00547231 is 378.17 g/mol.
Where can I buy BAS 00547231?
You can request a quote for BAS 00547231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00547231?
Yes, KEHONG BIO provides custom synthesis services for BAS 00547231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.