A3093/0130900
TL;DR: A3093/0130900 (CAS 442654-29-7) is a chemical compound with molecular formula C26H29NO6 and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate
Also Known As: A3093/0130900, dimethyl 1-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate, 3,5-DIMETHYL 1-(ADAMANTAN-1-YL)-4-(2H-1,3-BENZODIOXOL-5-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, 3,5-DIMETHYL 1-(ADAMANTAN-1-YL)-4-(2H-1,3-BENZODIOXOL-5-YL)-4H-PYRIDINE-3,5-DICARBOXYLATE, dimethyl 1-(adamantan-1-yl)-4-(benzo[d][1,3]dioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C26H29NO6 |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 3.8971 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.1995 |
| Heavy Atoms | 33 |
| Complexity | 1003.2562 |
Chemical Identifiers
| CAS Number | 442654-29-7 |
|---|---|
| SMILES | COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)C45CC6CC(C4)CC(C6)C5 |
Product Overview
A3093/0130900 (CAS 442654-29-7), with molecular formula C26H29NO6 and molecular weight 451.20 g/mol. IUPAC: dimethyl 1-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of A3093/0130900
Property Insights of A3093/0130900
The XLogP value of 3.8971 indicates that A3093/0130900 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A3093/0130900. Following Lipinski's Rule of Five, A3093/0130900 has 0 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 A3093/0130900?
The CAS number of A3093/0130900 is 442654-29-7.
What is the molecular formula of A3093/0130900?
The molecular formula of A3093/0130900 is C26H29NO6.
What is the molecular weight of A3093/0130900?
The molecular weight of A3093/0130900 is 451.20 g/mol.
Where can I buy A3093/0130900?
You can request a quote for A3093/0130900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3093/0130900?
Yes, KEHONG BIO provides custom synthesis services for A3093/0130900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.