BAS 09588123
TL;DR: BAS 09588123 (CAS 443326-63-4) is a chemical compound with molecular formula C22H27NO7 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: BAS 09588123, AE-848/42025506, dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3,5-pyridinedicarboxylate, A3161/0133740, dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate
| Molecular Formula | C22H27NO7 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 2.4829 |
| Topological Polar Surface Area | 94.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.17874 |
| Heavy Atoms | 30 |
| Complexity | 821.04205 |
Chemical Identifiers
| CAS Number | 443326-63-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3CCCO3)C(=O)OC)O |
Product Overview
BAS 09588123 (CAS 443326-63-4), with molecular formula C22H27NO7 and molecular weight 417.18 g/mol. IUPAC: dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of BAS 09588123
Property Insights of BAS 09588123
The XLogP value of 2.4829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09588123. The TPSA of 94.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09588123. Following Lipinski's Rule of Five, BAS 09588123 has 1 hydrogen bond donor(s) and 8 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 09588123?
The CAS number of BAS 09588123 is 443326-63-4.
What is the molecular formula of BAS 09588123?
The molecular formula of BAS 09588123 is C22H27NO7.
What is the molecular weight of BAS 09588123?
The molecular weight of BAS 09588123 is 417.18 g/mol.
Where can I buy BAS 09588123?
You can request a quote for BAS 09588123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09588123?
Yes, KEHONG BIO provides custom synthesis services for BAS 09588123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.