BAS 00619643
TL;DR: BAS 00619643 (CAS 64670-41-3) is a chemical compound with molecular formula C26H30O7 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxylate
Also Known As: BAS 00619643, 2,2-dibromo-1-methylcyclopropane-1-methanol, 1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-6-oxo-, 2-(4-(phenylmethoxy)phenyl)-, diethyl ester, diethyl 2-[4-(benzyloxy)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxylate
| Molecular Formula | C26H30O7 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 3.4316 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.19916 |
| Heavy Atoms | 33 |
| Complexity | 965.8947 |
Chemical Identifiers
| CAS Number | 64670-41-3 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)OCC3=CC=CC=C3 |
Product Overview
BAS 00619643 (CAS 64670-41-3), with molecular formula C26H30O7 and molecular weight 454.20 g/mol. IUPAC: diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxylate.
Chemical Property Profile of BAS 00619643
Property Insights of BAS 00619643
The XLogP value of 3.4316 indicates that BAS 00619643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619643. Following Lipinski's Rule of Five, BAS 00619643 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 00619643?
The CAS number of BAS 00619643 is 64670-41-3.
What is the molecular formula of BAS 00619643?
The molecular formula of BAS 00619643 is C26H30O7.
What is the molecular weight of BAS 00619643?
The molecular weight of BAS 00619643 is 454.20 g/mol.
Where can I buy BAS 00619643?
You can request a quote for BAS 00619643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619643?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.