3H-901
TL;DR: 3H-901 (CAS 338409-89-5) is a chemical compound with molecular formula C20H15ClF3N3O3 and molecular weight 437.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
Also Known As: 3H-901, 1-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}-2-morpholino-1,2-ethanedione, 1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione, 1-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}-2-(morpholin-4-yl)ethane-1,2-dione, 1-(1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-INDOL-3-YL)-2-MORPHOLINO-1,2-ETHANEDIONE
| Molecular Formula | C20H15ClF3N3O3 |
|---|---|
| Molecular Weight | 437.08 g/mol |
| LogP | 3.7392 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.0754 |
| Heavy Atoms | 30 |
| Complexity | 1137.2625 |
Chemical Identifiers
| CAS Number | 338409-89-5 |
|---|---|
| SMILES | C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3H-901 (CAS 338409-89-5), with molecular formula C20H15ClF3N3O3 and molecular weight 437.08 g/mol. IUPAC: 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.
Chemical Property Profile of 3H-901
Property Insights of 3H-901
The XLogP value of 3.7392 indicates that 3H-901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-901. Following Lipinski's Rule of Five, 3H-901 has 0 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 3H-901?
The CAS number of 3H-901 is 338409-89-5.
What is the molecular formula of 3H-901?
The molecular formula of 3H-901 is C20H15ClF3N3O3.
What is the molecular weight of 3H-901?
The molecular weight of 3H-901 is 437.08 g/mol.
Where can I buy 3H-901?
You can request a quote for 3H-901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-901?
Yes, KEHONG BIO provides custom synthesis services for 3H-901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.