BAS 07417687
TL;DR: BAS 07417687 (CAS 384801-49-4) is a chemical compound with molecular formula C16H15ClN4O and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
Also Known As: BAS 07417687, 2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile, AM-807/14144071, 2-[(3-Chloro-phenyl)-(3-hydroxy-5-propyl-1H-pyrazol-4-yl)-methyl]-malononitrile, 2-[(3-chlorophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]malononitrile
| Molecular Formula | C16H15ClN4O |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.09344 |
| Heavy Atoms | 22 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 384801-49-4 |
|---|---|
| SMILES | CCCC1=C(C(=O)NN1)C(C2=CC(=CC=C2)Cl)C(C#N)C#N |
| InChIKey | XZBNCNIMVWBANH-UHFFFAOYSA-N |
Product Overview
BAS 07417687 (CAS 384801-49-4), with molecular formula C16H15ClN4O and molecular weight 314.09 g/mol. IUPAC: 2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile.
Chemical Property Profile of BAS 07417687
Property Insights of BAS 07417687
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07417687. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07417687. Following Lipinski's Rule of Five, BAS 07417687 has 2 hydrogen bond donor(s) and 4 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 07417687?
The CAS number of BAS 07417687 is 384801-49-4.
What is the molecular formula of BAS 07417687?
The molecular formula of BAS 07417687 is C16H15ClN4O.
What is the molecular weight of BAS 07417687?
The molecular weight of BAS 07417687 is 314.09 g/mol.
Where can I buy BAS 07417687?
You can request a quote for BAS 07417687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07417687?
Yes, KEHONG BIO provides custom synthesis services for BAS 07417687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.