RefChem:209031
TL;DR: RefChem:209031 (CAS 188-13-6) is a chemical compound with molecular formula C14H11F3N4O6 and molecular weight 388.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl] N-[4-(trifluoromethoxy)phenyl]carbamate
Also Known As: KST-1A2292, (4-Trifluoromethoxy-phenyl)carbamic acid (S)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazin-6-yl ester, [(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl] N-[4-(trifluoromethoxy)phenyl]carbamate, (6s)-2-nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazin-6-yl[4-(trifluoromethoxy)phenyl]carbamate, (4-Trifluoromethoxy-phenyl)-carbamic acid (S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl ester
| Molecular Formula | C14H11F3N4O6 |
|---|---|
| Molecular Weight | 388.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.06308 |
| Heavy Atoms | 27 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 188-13-6 |
|---|---|
| SMILES | C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OC(=O)NC3=CC=C(C=C3)OC(F)(F)F |
| InChIKey | BFGKIVVTPDSBJF-JTQLQIEISA-N |
Product Overview
RefChem:209031 (CAS 188-13-6), with molecular formula C14H11F3N4O6 and molecular weight 388.06 g/mol. IUPAC: [(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl] N-[4-(trifluoromethoxy)phenyl]carbamate.
Chemical Property Profile of RefChem:209031
Property Insights of RefChem:209031
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:209031. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:209031. Following Lipinski's Rule of Five, RefChem:209031 has 1 hydrogen bond donor(s) and 10 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 RefChem:209031?
The CAS number of RefChem:209031 is 188-13-6.
What is the molecular formula of RefChem:209031?
The molecular formula of RefChem:209031 is C14H11F3N4O6.
What is the molecular weight of RefChem:209031?
The molecular weight of RefChem:209031 is 388.06 g/mol.
Where can I buy RefChem:209031?
You can request a quote for RefChem:209031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:209031?
Yes, KEHONG BIO provides custom synthesis services for RefChem:209031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.