BAS 00396177
TL;DR: BAS 00396177 (CAS 310440-59-6) is a chemical compound with molecular formula C14H16IN5O and molecular weight 397.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
Also Known As: BAS 00396177, (E)-N'-(4-(dimethylamino)benzylidene)-4-iodo-1-methyl-1H-pyrazole-3-carbohydrazide, N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-iodo-1-methyl-1H-pyrazole-3-carbohydrazide, N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide, N-{(1E)-2-[4-(dimethylamino)phenyl]-1-azavinyl}(4-iodo-1-methylpyrazol-3-yl)ca rboxamide
| Molecular Formula | C14H16IN5O |
|---|---|
| Molecular Weight | 397.04 g/mol |
| LogP | 1.8546 |
| Topological Polar Surface Area | 62.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.03995 |
| Heavy Atoms | 21 |
| Complexity | 660.5039 |
Chemical Identifiers
| CAS Number | 310440-59-6 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)N/N=C/C2=CC=C(C=C2)N(C)C)I |
Product Overview
BAS 00396177 (CAS 310440-59-6), with molecular formula C14H16IN5O and molecular weight 397.04 g/mol. IUPAC: N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide.
Chemical Property Profile of BAS 00396177
Property Insights of BAS 00396177
The XLogP value of 1.8546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00396177. The TPSA of 62.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00396177. Following Lipinski's Rule of Five, BAS 00396177 has 1 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 00396177?
The CAS number of BAS 00396177 is 310440-59-6.
What is the molecular formula of BAS 00396177?
The molecular formula of BAS 00396177 is C14H16IN5O.
What is the molecular weight of BAS 00396177?
The molecular weight of BAS 00396177 is 397.04 g/mol.
Where can I buy BAS 00396177?
You can request a quote for BAS 00396177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00396177?
Yes, KEHONG BIO provides custom synthesis services for BAS 00396177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.