BAS 00410012
TL;DR: BAS 00410012 (CAS 331440-63-2) is a chemical compound with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[4-[4-(dimethylamino)anilino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
Also Known As: BAS 00410012, (E)-N-(4-(dimethylamino)phenyl)-3-(2-isonicotinoylhydrazono)butanamide, N-(4-Dimethylamino-phenyl)-3-[(pyridine-4-carbonyl)-hydrazono]-butyramide, (3E)-N-[4-(dimethylamino)phenyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide, (3E)-N-[4-(dimethylamino)phenyl]-3-methyl-4-(4-pyridylcarbonylamino)-4-azabut- 3-enamide
| Molecular Formula | C18H21N5O2 |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 2.2821 |
| Topological Polar Surface Area | 86.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.16953 |
| Heavy Atoms | 25 |
| Complexity | 754.7957 |
Chemical Identifiers
| CAS Number | 331440-63-2 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=CC=NC=C1)/CC(=O)NC2=CC=C(C=C2)N(C)C |
Product Overview
BAS 00410012 (CAS 331440-63-2), with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol. IUPAC: N-[(E)-[4-[4-(dimethylamino)anilino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide.
Chemical Property Profile of BAS 00410012
Property Insights of BAS 00410012
The XLogP value of 2.2821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00410012. The TPSA of 86.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00410012. Following Lipinski's Rule of Five, BAS 00410012 has 2 hydrogen bond donor(s) and 5 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 00410012?
The CAS number of BAS 00410012 is 331440-63-2.
What is the molecular formula of BAS 00410012?
The molecular formula of BAS 00410012 is C18H21N5O2.
What is the molecular weight of BAS 00410012?
The molecular weight of BAS 00410012 is 339.17 g/mol.
Where can I buy BAS 00410012?
You can request a quote for BAS 00410012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410012?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.