BAS 00663980
TL;DR: BAS 00663980 (CAS 317844-95-4) is a chemical compound with molecular formula C23H15N5O2S2 and molecular weight 457.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
Also Known As: BAS 00663980, N'-{(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}benzohydrazide, (E)-N'-((2-(benzo[d]thiazol-2-ylthio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)benzohydrazide, N-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
| Molecular Formula | C23H15N5O2S2 |
|---|---|
| Molecular Weight | 457.07 g/mol |
| LogP | 4.2193 |
| Topological Polar Surface Area | 88.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0667 |
| Heavy Atoms | 32 |
| Complexity | 1493.3082 |
Chemical Identifiers
| CAS Number | 317844-95-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N/N=C/C2=C(N=C3C=CC=CN3C2=O)SC4=NC5=CC=CC=C5S4 |
Product Overview
BAS 00663980 (CAS 317844-95-4), with molecular formula C23H15N5O2S2 and molecular weight 457.07 g/mol. IUPAC: N-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide.
Chemical Property Profile of BAS 00663980
Property Insights of BAS 00663980
The XLogP value of 4.2193 indicates that BAS 00663980 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00663980. Following Lipinski's Rule of Five, BAS 00663980 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 00663980?
The CAS number of BAS 00663980 is 317844-95-4.
What is the molecular formula of BAS 00663980?
The molecular formula of BAS 00663980 is C23H15N5O2S2.
What is the molecular weight of BAS 00663980?
The molecular weight of BAS 00663980 is 457.07 g/mol.
Where can I buy BAS 00663980?
You can request a quote for BAS 00663980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00663980?
Yes, KEHONG BIO provides custom synthesis services for BAS 00663980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.