Pretomanid R-Isomer
TL;DR: Pretomanid R-Isomer (CAS 1105708-11-9) is a chemical compound with molecular formula C14H12F3N3O5 and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Also Known As: Pretomanid R-Isomer, Pretomanid Impurity 2, EX-A10590, (6R)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine, (6R)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
| Molecular Formula | C14H12F3N3O5 |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | 2.6677 |
| Topological Polar Surface Area | 88.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0729 |
| Heavy Atoms | 25 |
| Complexity | 760.0631 |
Chemical Identifiers
| CAS Number | 1105708-11-9 |
|---|---|
| SMILES | C1[C@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
Pretomanid R-Isomer (CAS 1105708-11-9), with molecular formula C14H12F3N3O5 and molecular weight 359.07 g/mol. IUPAC: (6R)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
Chemical Property Profile of Pretomanid R-Isomer
Property Insights of Pretomanid R-Isomer
The XLogP value of 2.6677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pretomanid R-Isomer. The TPSA of 88.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Pretomanid R-Isomer. Following Lipinski's Rule of Five, Pretomanid R-Isomer has 0 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 Pretomanid R-Isomer?
The CAS number of Pretomanid R-Isomer is 1105708-11-9.
What is the molecular formula of Pretomanid R-Isomer?
The molecular formula of Pretomanid R-Isomer is C14H12F3N3O5.
What is the molecular weight of Pretomanid R-Isomer?
The molecular weight of Pretomanid R-Isomer is 359.07 g/mol.
Where can I buy Pretomanid R-Isomer?
You can request a quote for Pretomanid R-Isomer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pretomanid R-Isomer?
Yes, KEHONG BIO provides custom synthesis services for Pretomanid R-Isomer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.