KLHDC2-IN-1
TL;DR: KLHDC2-IN-1 (CAS 1005275-19-3) is a chemical compound with molecular formula C22H19ClF3NO3 and molecular weight 437.10056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-10-[3-(trifluoromethoxy)phenyl]-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-7-carboxylic acid
Also Known As: KLHDC2-IN-1, EX-A13283, 2-chloro-6-[3-(trifluoromethoxy)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Technical Specifications
| Molecular Formula | C22H19ClF3NO3 |
| Molecular Weight | 437.10056 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.10056 Da |
| Heavy Atoms | 30 |
| Complexity | 677.0 |
| SMILES | C1CC2CC1C3C2C4=C(C(=CC(=C4)Cl)C(=O)O)NC3C5=CC(=CC=C5)OC(F)(F)F |
| InChIKey | MDYBVKDISQFLKR-UHFFFAOYSA-N |
Chemical Property Profile of KLHDC2-IN-1
Property Insights of KLHDC2-IN-1
The XLogP value of 6.5 indicates that KLHDC2-IN-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, KLHDC2-IN-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KLHDC2-IN-1 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of KLHDC2-IN-1?
The CAS number of KLHDC2-IN-1 is 1005275-19-3.
What is the molecular formula of KLHDC2-IN-1?
The molecular formula of KLHDC2-IN-1 is C22H19ClF3NO3.
What is the molecular weight of KLHDC2-IN-1?
The molecular weight of KLHDC2-IN-1 is 437.10056 g/mol.
Where can I buy KLHDC2-IN-1?
You can request a quote for KLHDC2-IN-1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for KLHDC2-IN-1?
Yes, CoreyChem provides custom synthesis services for KLHDC2-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.