ChemDiv1_008839
TL;DR: ChemDiv1_008839 (CAS 421571-27-9) is a chemical compound with molecular formula C28H31NO7 and molecular weight 493.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(3-methoxy-4-phenylmethoxyphenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: ChemDiv1_008839, A2647/0112776, dimethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-1-(tetrahydrofuran-2-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-DIMETHYL 4-[4-(BENZYLOXY)-3-METHOXYPHENYL]-1-[(OXOLAN-2-YL)METHYL]-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, dimethyl 4-(3-methoxy-4-phenylmethoxyphenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate
| Molecular Formula | C28H31NO7 |
|---|---|
| Molecular Weight | 493.21 g/mol |
| LogP | 3.9662 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.21005 |
| Heavy Atoms | 36 |
| Complexity | 1101.8422 |
Chemical Identifiers
| CAS Number | 421571-27-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3CCCO3)C(=O)OC)OCC4=CC=CC=C4 |
Product Overview
ChemDiv1_008839 (CAS 421571-27-9), with molecular formula C28H31NO7 and molecular weight 493.21 g/mol. IUPAC: dimethyl 4-(3-methoxy-4-phenylmethoxyphenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_008839
Property Insights of ChemDiv1_008839
The XLogP value of 3.9662 indicates that ChemDiv1_008839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008839. Following Lipinski's Rule of Five, ChemDiv1_008839 has 0 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 ChemDiv1_008839?
The CAS number of ChemDiv1_008839 is 421571-27-9.
What is the molecular formula of ChemDiv1_008839?
The molecular formula of ChemDiv1_008839 is C28H31NO7.
What is the molecular weight of ChemDiv1_008839?
The molecular weight of ChemDiv1_008839 is 493.21 g/mol.
Where can I buy ChemDiv1_008839?
You can request a quote for ChemDiv1_008839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008839?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.