3H-951
TL;DR: 3H-951 (CAS 317833-32-2) is a chemical compound with molecular formula C20H18ClF3N4O3 and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-methyl-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3H-951, 5-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-methyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 5-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-methyl-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2-methyl-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C20H18ClF3N4O3 |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 3.1376 |
| Topological Polar Surface Area | 74.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.10196 |
| Heavy Atoms | 31 |
| Complexity | 1004.9097 |
Chemical Identifiers
| CAS Number | 317833-32-2 |
|---|---|
| SMILES | CN1C(C2C(O1)C(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)C4=CC=CC=C4 |
Product Overview
3H-951 (CAS 317833-32-2), with molecular formula C20H18ClF3N4O3 and molecular weight 454.10 g/mol. IUPAC: 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-methyl-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3H-951
Property Insights of 3H-951
The XLogP value of 3.1376 indicates that 3H-951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-951. Following Lipinski's Rule of Five, 3H-951 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 3H-951?
The CAS number of 3H-951 is 317833-32-2.
What is the molecular formula of 3H-951?
The molecular formula of 3H-951 is C20H18ClF3N4O3.
What is the molecular weight of 3H-951?
The molecular weight of 3H-951 is 454.10 g/mol.
Where can I buy 3H-951?
You can request a quote for 3H-951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-951?
Yes, KEHONG BIO provides custom synthesis services for 3H-951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.