BAS 00396176
TL;DR: BAS 00396176 (CAS 310440-76-7) is a chemical compound with molecular formula C14H15IN4O3 and molecular weight 414.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
Also Known As: BAS 00396176, N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-4-iodo-1-methyl-1H-pyrazole-3-carbohydrazide, (E)-N'-(3,4-dimethoxybenzylidene)-4-iodo-1-methyl-1H-pyrazole-3-carbohydrazide, N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
| Molecular Formula | C14H15IN4O3 |
|---|---|
| Molecular Weight | 414.02 g/mol |
| LogP | 1.8058 |
| Topological Polar Surface Area | 77.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0189 |
| Heavy Atoms | 22 |
| Complexity | 712.10864 |
Chemical Identifiers
| CAS Number | 310440-76-7 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)N/N=C/C2=CC(=C(C=C2)OC)OC)I |
Product Overview
BAS 00396176 (CAS 310440-76-7), with molecular formula C14H15IN4O3 and molecular weight 414.02 g/mol. IUPAC: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide.
Chemical Property Profile of BAS 00396176
Property Insights of BAS 00396176
The XLogP value of 1.8058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00396176. The TPSA of 77.74 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00396176. Following Lipinski's Rule of Five, BAS 00396176 has 1 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 00396176?
The CAS number of BAS 00396176 is 310440-76-7.
What is the molecular formula of BAS 00396176?
The molecular formula of BAS 00396176 is C14H15IN4O3.
What is the molecular weight of BAS 00396176?
The molecular weight of BAS 00396176 is 414.02 g/mol.
Where can I buy BAS 00396176?
You can request a quote for BAS 00396176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00396176?
Yes, KEHONG BIO provides custom synthesis services for BAS 00396176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.