TIBO deriv.
TL;DR: TIBO deriv. (CAS 136722-78-6) is a chemical compound with molecular formula C17H20ClN5 and molecular weight 329.14072 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-2,4,6,8(13)-tetraen-2-yl]cyanamide
Also Known As: TIBO deriv., Cyanamide, (9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2-yl)-, (S)-, Imidazo[4,5,1-jk][1,4]benzodiazepine, cyanamide deriv, (E)-[chloro-methyl-(3-methylbut-2-enyl)[?]ylidene]cyanamide, (5S)-9-Chloro-2-cyanoimino-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine
Technical Specifications
| Molecular Formula | C17H20ClN5 |
| Molecular Weight | 329.14072 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.14072 Da |
| Heavy Atoms | 23 |
| Complexity | 508.0 |
| SMILES | C[C@H]1CN2C3=C(CN1CC=C(C)C)C=C(C=C3N=C2NC#N)Cl |
| InChIKey | IKVFAKQWGKMLDP-LBPRGKRZSA-N |
Chemical Property Profile of TIBO deriv.
Property Insights of TIBO deriv.
The XLogP value of 3.9 indicates that TIBO deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, TIBO deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TIBO deriv. has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of TIBO deriv.?
The CAS number of TIBO deriv. is 136722-78-6.
What is the molecular formula of TIBO deriv.?
The molecular formula of TIBO deriv. is C17H20ClN5.
What is the molecular weight of TIBO deriv.?
The molecular weight of TIBO deriv. is 329.14072 g/mol.
Where can I buy TIBO deriv.?
You can request a quote for TIBO deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TIBO deriv.?
Yes, CoreyChem provides custom synthesis services for TIBO deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.