Indaniline
TL;DR: Indaniline (CAS 951-02-0) is a chemical compound with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]imino-6-oxocyclohexa-1,4-diene-1-carboxamide
Also Known As: Indaniline, KST-1A9105, (3e)-3-{[4-(dimethylamino)phenyl]imino}-6-oxocyclohexa-1,4-diene-1-carboxamide, 3-[4-(dimethylamino)phenyl]imino-6-oxocyclohexa-1,4-diene-1-carboxamide, 3-(4-dimethylaminophenyl)imino-6-oxocyclohexa-1,4-diene-1-carboxamide
| Molecular Formula | C15H15N3O2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.11642 |
| Heavy Atoms | 20 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 951-02-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C(=C2)C(=O)N |
| InChIKey | FNSGFMJDVXBVOP-UHFFFAOYSA-N |
Product Overview
Indaniline (CAS 951-02-0), with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]imino-6-oxocyclohexa-1,4-diene-1-carboxamide.
Chemical Property Profile of Indaniline
Property Insights of Indaniline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indaniline. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Indaniline. Following Lipinski's Rule of Five, Indaniline 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 Indaniline?
The CAS number of Indaniline is 951-02-0.
What is the molecular formula of Indaniline?
The molecular formula of Indaniline is C15H15N3O2.
What is the molecular weight of Indaniline?
The molecular weight of Indaniline is 269.12 g/mol.
Where can I buy Indaniline?
You can request a quote for Indaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indaniline?
Yes, KEHONG BIO provides custom synthesis services for Indaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.