NCI60_031596
TL;DR: NCI60_031596 (CAS 101001-12-1) is a chemical compound with molecular formula C20H21NO and molecular weight 291.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(dimethylamino)phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
Also Known As: NCI60_031596, 6-{[4-(dimethylamino)phenyl]methylidene}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one, 6-[(4-dimethylaminophenyl)methylene]-8,9-dihydro-7h-benzo[7]annulen-5-one, 6-{(E)-[4-(dimethylamino)phenyl]methylidene}-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one, 6-[(4-dimethylaminophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
| Molecular Formula | C20H21NO |
|---|---|
| Molecular Weight | 291.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.16232 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 101001-12-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C2CCCC3=CC=CC=C3C2=O |
| InChIKey | VWPPUIVJOSQTOP-UHFFFAOYSA-N |
Product Overview
NCI60_031596 (CAS 101001-12-1), with molecular formula C20H21NO and molecular weight 291.16 g/mol. IUPAC: 6-[[4-(dimethylamino)phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one.
Chemical Property Profile of NCI60_031596
Property Insights of NCI60_031596
The XLogP value of 4.7 indicates that NCI60_031596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, NCI60_031596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_031596 has 0 hydrogen bond donor(s) and 2 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 NCI60_031596?
The CAS number of NCI60_031596 is 101001-12-1.
What is the molecular formula of NCI60_031596?
The molecular formula of NCI60_031596 is C20H21NO.
What is the molecular weight of NCI60_031596?
The molecular weight of NCI60_031596 is 291.16 g/mol.
Where can I buy NCI60_031596?
You can request a quote for NCI60_031596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_031596?
Yes, KEHONG BIO provides custom synthesis services for NCI60_031596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.