BAS 04378139
TL;DR: BAS 04378139 (CAS 346716-20-9) is a chemical compound with molecular formula C21H19NO6S and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(1,3-benzodioxol-5-yl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: BAS 04378139, A2482/0105503, dimethyl 4-(1,3-benzodioxol-5-yl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate, 3,5-DIMETHYL 4-(2H-1,3-BENZODIOXOL-5-YL)-1-[(THIOPHEN-2-YL)METHYL]-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, dimethyl 4-(1,3-benzodioxol-5-yl)-1-(thiophen-2-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C21H19NO6S |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 3.19 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.09332 |
| Heavy Atoms | 29 |
| Complexity | 960.60516 |
Chemical Identifiers
| CAS Number | 346716-20-9 |
|---|---|
| SMILES | COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CC=CS4 |
Product Overview
BAS 04378139 (CAS 346716-20-9), with molecular formula C21H19NO6S and molecular weight 413.09 g/mol. IUPAC: dimethyl 4-(1,3-benzodioxol-5-yl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of BAS 04378139
Property Insights of BAS 04378139
The XLogP value of 3.19 indicates that BAS 04378139 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 BAS 04378139. Following Lipinski's Rule of Five, BAS 04378139 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 BAS 04378139?
The CAS number of BAS 04378139 is 346716-20-9.
What is the molecular formula of BAS 04378139?
The molecular formula of BAS 04378139 is C21H19NO6S.
What is the molecular weight of BAS 04378139?
The molecular weight of BAS 04378139 is 413.09 g/mol.
Where can I buy BAS 04378139?
You can request a quote for BAS 04378139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04378139?
Yes, KEHONG BIO provides custom synthesis services for BAS 04378139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.