TimTec1_003864
TL;DR: TimTec1_003864 (CAS 474376-65-3) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxylic acid
Also Known As: TimTec1_003864, 6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid, BAS 04319707, 5,6,6a,7,8,9,10,10a-Octahydro-6-phenyl-7,10-methanophenanthridine-2-carboxylic acid, 7,10-Methanophenanthridine-2-carboxylic acid, 5,6,6a,7,8,9,10,10a-octahydro-6-phenyl-
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 4.6813 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 800.74097 |
Chemical Identifiers
| CAS Number | 474376-65-3 |
|---|---|
| SMILES | C1CC2CC1C3C2C4=C(C=CC(=C4)C(=O)O)NC3C5=CC=CC=C5 |
Product Overview
TimTec1_003864 (CAS 474376-65-3), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: 10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxylic acid.
Chemical Property Profile of TimTec1_003864
Property Insights of TimTec1_003864
The XLogP value of 4.6813 indicates that TimTec1_003864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, TimTec1_003864 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_003864 has 2 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 TimTec1_003864?
The CAS number of TimTec1_003864 is 474376-65-3.
What is the molecular formula of TimTec1_003864?
The molecular formula of TimTec1_003864 is C21H21NO2.
What is the molecular weight of TimTec1_003864?
The molecular weight of TimTec1_003864 is 319.16 g/mol.
Where can I buy TimTec1_003864?
You can request a quote for TimTec1_003864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003864?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.