TIBO deriv.
TL;DR: TIBO deriv. (CAS 136722-79-7) is a chemical compound with molecular formula C18H23ClN4O2 and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(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]carbamate
Also Known As: TIBO deriv., Carbamic acid, (9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2-yl)-, methyl ester, (S)-, Imidazo[4,5,1-jk][1,4]benzodiazepine, carbamic acid deriv., methyl N-[chloro-methyl-(3-methylbut-2-enyl)[?]yl]carbamate, (+)-N-[[(5S)-9-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine]-2-yl]carbamic acid methyl ester
| Molecular Formula | C18H23ClN4O2 |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.15094 |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 136722-79-7 |
|---|---|
| SMILES | C[C@H]1CN2C3=C(CN1CC=C(C)C)C=C(C=C3N=C2NC(=O)OC)Cl |
| InChIKey | RTCDKTPPMZMKBH-LBPRGKRZSA-N |
Product Overview
TIBO deriv. (CAS 136722-79-7), with molecular formula C18H23ClN4O2 and molecular weight 362.15 g/mol. IUPAC: methyl N-[(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]carbamate.
Chemical Property Profile of TIBO deriv.
Property Insights of TIBO deriv.
The XLogP value of 3.5 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 59.4 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
Frequently Asked Questions
What is the CAS number of TIBO deriv.?
The CAS number of TIBO deriv. is 136722-79-7.
What is the molecular formula of TIBO deriv.?
The molecular formula of TIBO deriv. is C18H23ClN4O2.
What is the molecular weight of TIBO deriv.?
The molecular weight of TIBO deriv. is 362.15 g/mol.
Where can I buy TIBO deriv.?
You can request a quote for TIBO deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TIBO deriv.?
Yes, KEHONG BIO provides custom synthesis services for TIBO deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.