BAS 03305336
TL;DR: BAS 03305336 (CAS 439947-66-7) is a chemical compound with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: BAS 03305336, 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C23H20N2O5S |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 3.9388 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.10928 |
| Heavy Atoms | 31 |
| Complexity | 1142.0382 |
Chemical Identifiers
| CAS Number | 439947-66-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4)OC |
Product Overview
BAS 03305336 (CAS 439947-66-7), with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 03305336
Property Insights of BAS 03305336
The XLogP value of 3.9388 indicates that BAS 03305336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03305336. Following Lipinski's Rule of Five, BAS 03305336 has 1 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 BAS 03305336?
The CAS number of BAS 03305336 is 439947-66-7.
What is the molecular formula of BAS 03305336?
The molecular formula of BAS 03305336 is C23H20N2O5S.
What is the molecular weight of BAS 03305336?
The molecular weight of BAS 03305336 is 436.11 g/mol.
Where can I buy BAS 03305336?
You can request a quote for BAS 03305336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03305336?
Yes, KEHONG BIO provides custom synthesis services for BAS 03305336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.