KST-1B1287
TL;DR: KST-1B1287 (CAS 18813-25-7) is a chemical compound with molecular formula C13H12ClN5O4 and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]urea
Also Known As: KST-1B1287, 1-(4-chlorophenyl)-3-[(6s)-2-nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazin-6-yl]urea, 1-(4-Chloro-phenyl)-3-((S)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazin-6-yl)-urea, N-(4-Chlorophenyl)-N'-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]urea, 1-(4-Chloro-phenyl)-3-((S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-urea
| Molecular Formula | C13H12ClN5O4 |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.05777 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 18813-25-7 |
|---|---|
| SMILES | C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])NC(=O)NC3=CC=C(C=C3)Cl |
| InChIKey | QVTKKKOHGKZJSZ-JTQLQIEISA-N |
Product Overview
KST-1B1287 (CAS 18813-25-7), with molecular formula C13H12ClN5O4 and molecular weight 337.06 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]urea.
Chemical Property Profile of KST-1B1287
Property Insights of KST-1B1287
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B1287. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B1287. Following Lipinski's Rule of Five, KST-1B1287 has 2 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 KST-1B1287?
The CAS number of KST-1B1287 is 18813-25-7.
What is the molecular formula of KST-1B1287?
The molecular formula of KST-1B1287 is C13H12ClN5O4.
What is the molecular weight of KST-1B1287?
The molecular weight of KST-1B1287 is 337.06 g/mol.
Where can I buy KST-1B1287?
You can request a quote for KST-1B1287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B1287?
Yes, KEHONG BIO provides custom synthesis services for KST-1B1287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.