TIBO analog
TL;DR: TIBO analog (CAS 126233-92-9) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11R)-11-methyl-10-prop-2-enyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: TIBO analog, allyl(methyl)[?]one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(2-propenyl)-, (R)-, (-)-R-4,5,6,7,-Tetrahydro-5-methyl-6-(2-propenyl)-imidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one, 5-Methyl-6-(prop-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 126233-92-9 |
|---|---|
| SMILES | C[C@@H]1CN2C3=C(CN1CC=C)C=CC=C3NC2=O |
| InChIKey | OYQVBYVHKBMZGU-SNVBAGLBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
TIBO analog (CAS 126233-92-9), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: (11R)-11-methyl-10-prop-2-enyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one.
Chemical Property Profile of TIBO analog
Property Insights of TIBO analog
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TIBO analog. With a topological polar surface area (TPSA) of 35.6 Ų, TIBO analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TIBO analog has 1 hydrogen bond donor(s) and 2 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 TIBO analog?
The CAS number of TIBO analog is 126233-92-9.
What is the molecular formula of TIBO analog?
The molecular formula of TIBO analog is C14H17N3O.
What is the molecular weight of TIBO analog?
The molecular weight of TIBO analog is 243.14 g/mol.
Where can I buy TIBO analog?
You can request a quote for TIBO analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TIBO analog?
Yes, KEHONG BIO provides custom synthesis services for TIBO analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.