Thr1 inhibitor, 5
TL;DR: Thr1 inhibitor, 5 (CAS 342383-89-5) is a chemical compound with molecular formula C15H19NO2S and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropyl)-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: Thr1 inhibitor, 5, AE-848/14137057, 2-isobutyl-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one, 2-isobutyl-6,7,8,9-tetrahydrocyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4(5H)-one, 2-(2-methylpropyl)-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one
| Molecular Formula | C15H19NO2S |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.11365 |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 342383-89-5 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C(S2)CCCCC3)C(=O)O1 |
| InChIKey | HBEYHRWFORHFAV-UHFFFAOYSA-N |
Product Overview
Thr1 inhibitor, 5 (CAS 342383-89-5), with molecular formula C15H19NO2S and molecular weight 277.11 g/mol. IUPAC: 5-(2-methylpropyl)-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of Thr1 inhibitor, 5
Property Insights of Thr1 inhibitor, 5
The XLogP value of 4.3 indicates that Thr1 inhibitor, 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thr1 inhibitor, 5. Following Lipinski's Rule of Five, Thr1 inhibitor, 5 has 0 hydrogen bond donor(s) and 4 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 Thr1 inhibitor, 5?
The CAS number of Thr1 inhibitor, 5 is 342383-89-5.
What is the molecular formula of Thr1 inhibitor, 5?
The molecular formula of Thr1 inhibitor, 5 is C15H19NO2S.
What is the molecular weight of Thr1 inhibitor, 5?
The molecular weight of Thr1 inhibitor, 5 is 277.11 g/mol.
Where can I buy Thr1 inhibitor, 5?
You can request a quote for Thr1 inhibitor, 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thr1 inhibitor, 5?
Yes, KEHONG BIO provides custom synthesis services for Thr1 inhibitor, 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.