8R-0399
TL;DR: 8R-0399 (CAS 478259-97-1) is a chemical compound with molecular formula C16H13BrFN5O2S and molecular weight 437.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]thiourea
Also Known As: 8R-0399, N-(4-bromo-2-fluorophenyl)-2-{[3-(3-pyridinyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-1-hydrazinecarbothioamide, 1-(4-bromo-2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]thiourea, N-{[(4-bromo-2-fluorophenyl)carbamothioyl]amino}-3-(pyridin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide, 3-(4-bromo-2-fluoro-phenyl)-1-[(3-pyridin-3-yl4,5-dihydro-1,2-oxazole-5-carbonyl)amino]thiourea
| Molecular Formula | C16H13BrFN5O2S |
|---|---|
| Molecular Weight | 437.00 g/mol |
| LogP | 2.494 |
| Topological Polar Surface Area | 87.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.99573 |
| Heavy Atoms | 26 |
| Complexity | 864.9735 |
Chemical Identifiers
| CAS Number | 478259-97-1 |
|---|---|
| SMILES | C1C(ON=C1C2=CN=CC=C2)C(=O)NNC(=S)NC3=C(C=C(C=C3)Br)F |
Product Overview
8R-0399 (CAS 478259-97-1), with molecular formula C16H13BrFN5O2S and molecular weight 437.00 g/mol. IUPAC: 1-(4-bromo-2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]thiourea.
Chemical Property Profile of 8R-0399
Property Insights of 8R-0399
The XLogP value of 2.494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8R-0399. The TPSA of 87.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 8R-0399. Following Lipinski's Rule of Five, 8R-0399 has 3 hydrogen bond donor(s) and 5 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 8R-0399?
The CAS number of 8R-0399 is 478259-97-1.
What is the molecular formula of 8R-0399?
The molecular formula of 8R-0399 is C16H13BrFN5O2S.
What is the molecular weight of 8R-0399?
The molecular weight of 8R-0399 is 437.00 g/mol.
Where can I buy 8R-0399?
You can request a quote for 8R-0399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8R-0399?
Yes, KEHONG BIO provides custom synthesis services for 8R-0399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.