R-82913
TL;DR: R-82913 (CAS 126347-69-1) is a chemical compound with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Also Known As: 9-Cl-Tibo, 9-Cmbib, 1rev, 1tvr, TIBO deriv.
| Molecular Formula | C16H20ClN3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 4.52259 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.10666 |
| Heavy Atoms | 21 |
| Complexity | 767.65546 |
Chemical Identifiers
| CAS Number | 126347-69-1 |
|---|---|
| SMILES | C[C@H]1CN2C3=C(CN1CC=C(C)C)C=C(C=C3NC2=S)Cl |
Product Overview
R-82913 (CAS 126347-69-1), with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol. IUPAC: (11S)-6-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione.
Chemical Property Profile of R-82913
Property Insights of R-82913
The XLogP value of 4.52259 indicates that R-82913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.96 Ų, R-82913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, R-82913 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 R-82913?
The CAS number of R-82913 is 126347-69-1.
What is the molecular formula of R-82913?
The molecular formula of R-82913 is C16H20ClN3S.
What is the molecular weight of R-82913?
The molecular weight of R-82913 is 321.11 g/mol.
Where can I buy R-82913?
You can request a quote for R-82913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R-82913?
Yes, KEHONG BIO provides custom synthesis services for R-82913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.