BAS 00470513
TL;DR: BAS 00470513 (CAS 244608-50-2) is a chemical compound with molecular formula C17H23N3 and molecular weight 269.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyclohexylideneamino)-3,3-dimethyl-4H-isoquinolin-1-amine
Also Known As: BAS 00470513, BIM-0016310.P001, N-(cyclohexylideneamino)-3,3-dimethyl-4H-isoquinolin-1-amine, 3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinone cyclohexylidenehydrazone, (1Z)-1-(cyclohexylidenehydrazinylidene)-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C17H23N3 |
|---|---|
| Molecular Weight | 269.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 36.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.1892 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 244608-50-2 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=N1)NN=C3CCCCC3)C |
| InChIKey | AEIORMHYFYBGDJ-UHFFFAOYSA-N |
Product Overview
BAS 00470513 (CAS 244608-50-2), with molecular formula C17H23N3 and molecular weight 269.19 g/mol. IUPAC: N-(cyclohexylideneamino)-3,3-dimethyl-4H-isoquinolin-1-amine.
Chemical Property Profile of BAS 00470513
Property Insights of BAS 00470513
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00470513. With a topological polar surface area (TPSA) of 36.8 Ų, BAS 00470513 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00470513 has 1 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 BAS 00470513?
The CAS number of BAS 00470513 is 244608-50-2.
What is the molecular formula of BAS 00470513?
The molecular formula of BAS 00470513 is C17H23N3.
What is the molecular weight of BAS 00470513?
The molecular weight of BAS 00470513 is 269.19 g/mol.
Where can I buy BAS 00470513?
You can request a quote for BAS 00470513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00470513?
Yes, KEHONG BIO provides custom synthesis services for BAS 00470513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.