BAS 03026594
TL;DR: BAS 03026594 (CAS 428831-88-3) is a chemical compound with molecular formula C23H27NO6 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(3,4-dimethoxyphenyl)oxane-4-carbonyl]amino]benzoate
Also Known As: BAS 03026594, A2827/0119405, ethyl 4-({[4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl]carbonyl}amino)benzoate, ethyl 4-[[4-(3,4-dimethoxyphenyl)oxane-4-carbonyl]amino]benzoate, ethyl 4-(4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carboxamido)benzoate
| Molecular Formula | C23H27NO6 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.5674 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.18384 |
| Heavy Atoms | 30 |
| Complexity | 887.0664 |
Chemical Identifiers
| CAS Number | 428831-88-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CCOCC2)C3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 03026594 (CAS 428831-88-3), with molecular formula C23H27NO6 and molecular weight 413.18 g/mol. IUPAC: ethyl 4-[[4-(3,4-dimethoxyphenyl)oxane-4-carbonyl]amino]benzoate.
Chemical Property Profile of BAS 03026594
Property Insights of BAS 03026594
The XLogP value of 3.5674 indicates that BAS 03026594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03026594. Following Lipinski's Rule of Five, BAS 03026594 has 1 hydrogen bond donor(s) and 6 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 03026594?
The CAS number of BAS 03026594 is 428831-88-3.
What is the molecular formula of BAS 03026594?
The molecular formula of BAS 03026594 is C23H27NO6.
What is the molecular weight of BAS 03026594?
The molecular weight of BAS 03026594 is 413.18 g/mol.
Where can I buy BAS 03026594?
You can request a quote for BAS 03026594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03026594?
Yes, KEHONG BIO provides custom synthesis services for BAS 03026594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.