普托馬尼
TL;DR: 普托馬尼 (CAS 187235-37-6) 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.
普托馬尼
(6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Also Known As: Pretomanid, pretomanidum, PA824, PA 824, PA824 cpd
| Molecular Formula | C14H12F3N3O5 |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0729 |
| Heavy Atoms | 25 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 187235-37-6 |
|---|---|
| SMILES | C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F |
| InChIKey | ZLHZLMOSPGACSZ-NSHDSACASA-N |
Product Overview
普托馬尼 (CAS 187235-37-6), with molecular formula C14H12F3N3O5 and molecular weight 359.07 g/mol. IUPAC: (6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
Chemical Property Profile of 普托馬尼
Property Insights of 普托馬尼
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 普托馬尼. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 普托馬尼. Following Lipinski's Rule of Five, 普托馬尼 has 0 hydrogen bond donor(s) and 9 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 普托馬尼?
The CAS number of 普托馬尼 is 187235-37-6.
What is the molecular formula of 普托馬尼?
The molecular formula of 普托馬尼 is C14H12F3N3O5.
What is the molecular weight of 普托馬尼?
The molecular weight of 普托馬尼 is 359.07 g/mol.
Where can I buy 普托馬尼?
You can request a quote for 普托馬尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 普托馬尼?
Yes, KEHONG BIO provides custom synthesis services for 普托馬尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.