BAS 03353476
TL;DR: BAS 03353476 (CAS 431995-14-1) is a chemical compound with molecular formula C21H22N6O3S2 and molecular weight 470.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 03353476, 2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[(2-{[3-(1H-IMIDAZOL-1-YL)PROPYL]AMINO}-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL)METHYLIDENE]-3-(2-METHOXYETHYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((2-((3-(1H-imidazol-1-yl)propyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(2-methoxyethyl)-2-thioxothiazolidin-4-one
| Molecular Formula | C21H22N6O3S2 |
|---|---|
| Molecular Weight | 470.12 g/mol |
| LogP | 2.2408 |
| Topological Polar Surface Area | 93.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.11948 |
| Heavy Atoms | 32 |
| Complexity | 1221.998 |
Chemical Identifiers
| CAS Number | 431995-14-1 |
|---|---|
| SMILES | COCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCCCN4C=CN=C4)/SC1=S |
Product Overview
BAS 03353476 (CAS 431995-14-1), with molecular formula C21H22N6O3S2 and molecular weight 470.12 g/mol. IUPAC: (5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 03353476
Property Insights of BAS 03353476
The XLogP value of 2.2408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03353476. The TPSA of 93.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03353476. Following Lipinski's Rule of Five, BAS 03353476 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 03353476?
The CAS number of BAS 03353476 is 431995-14-1.
What is the molecular formula of BAS 03353476?
The molecular formula of BAS 03353476 is C21H22N6O3S2.
What is the molecular weight of BAS 03353476?
The molecular weight of BAS 03353476 is 470.12 g/mol.
Where can I buy BAS 03353476?
You can request a quote for BAS 03353476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03353476?
Yes, KEHONG BIO provides custom synthesis services for BAS 03353476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.