9-Chloro-TIBO
TL;DR: 9-Chloro-TIBO (CAS 131645-82-4) is a chemical compound with molecular formula C16H20ClN3O and molecular weight 305.1295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: 9-Chloro-TIBO, TIBO deriv., chloro-methyl-(3-methylbut-2-enyl)[?]one, J1.482.320D, (+)-S-4,5,6,7-Tetrahydro-9-chloro-5-methyl-6-(3-methyl-2-butenyl)-imidazo(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
Technical Specifications
| Molecular Formula | C16H20ClN3O |
| Molecular Weight | 305.1295 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.1295 Da |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
| SMILES | C[C@H]1CN2C3=C(CN1CC=C(C)C)C=C(C=C3NC2=O)Cl |
| InChIKey | FRCNLKVXRALXMC-NSHDSACASA-N |
Chemical Property Profile of 9-Chloro-TIBO
Property Insights of 9-Chloro-TIBO
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Chloro-TIBO. With a topological polar surface area (TPSA) of 35.6 Ų, 9-Chloro-TIBO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Chloro-TIBO 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
What is the CAS number of 9-Chloro-TIBO?
The CAS number of 9-Chloro-TIBO is 131645-82-4.
What is the molecular formula of 9-Chloro-TIBO?
The molecular formula of 9-Chloro-TIBO is C16H20ClN3O.
What is the molecular weight of 9-Chloro-TIBO?
The molecular weight of 9-Chloro-TIBO is 305.1295 g/mol.
Where can I buy 9-Chloro-TIBO?
You can request a quote for 9-Chloro-TIBO directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Chloro-TIBO?
Yes, CoreyChem provides custom synthesis services for 9-Chloro-TIBO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.