4H-905
TL;DR: 4H-905 (CAS 338422-37-0) is a chemical compound with molecular formula C19H17ClF3N3O3S and molecular weight 459.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-(4-methoxyphenyl)sulfanylpyrrolidine-2,5-dione
Also Known As: 4H-905, 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-[(4-methoxyphenyl)sulfanyl]dihydro-1H-pyrrole-2,5-dione, 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-(4-methoxyphenyl)sulfanylpyrrolidine-2,5-dione, 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-[(4-methoxyphenyl)sulfanyl]pyrrolidine-2,5-dione
| Molecular Formula | C19H17ClF3N3O3S |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 4.0941 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.0631 |
| Heavy Atoms | 30 |
| Complexity | 940.85724 |
Chemical Identifiers
| CAS Number | 338422-37-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2CC(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4H-905 (CAS 338422-37-0), with molecular formula C19H17ClF3N3O3S and molecular weight 459.06 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-(4-methoxyphenyl)sulfanylpyrrolidine-2,5-dione.
Chemical Property Profile of 4H-905
Property Insights of 4H-905
The XLogP value of 4.0941 indicates that 4H-905 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-905. Following Lipinski's Rule of Five, 4H-905 has 1 hydrogen bond donor(s) and 6 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 4H-905?
The CAS number of 4H-905 is 338422-37-0.
What is the molecular formula of 4H-905?
The molecular formula of 4H-905 is C19H17ClF3N3O3S.
What is the molecular weight of 4H-905?
The molecular weight of 4H-905 is 459.06 g/mol.
Where can I buy 4H-905?
You can request a quote for 4H-905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-905?
Yes, KEHONG BIO provides custom synthesis services for 4H-905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.