J-113863, trans-
TL;DR: J-113863, trans- (CAS 301648-08-8) is a chemical compound with molecular formula C30H37Cl2IN2O2 and molecular weight 654.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide
Also Known As: J-113863, trans-, trans-j-113863, cis-j-113863, J-113863, cis-, 2-phenyl-quinoline-4-thiol
| Molecular Formula | C30H37Cl2IN2O2 |
|---|---|
| Molecular Weight | 654.13 g/mol |
| LogP | 4.6309 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 654.1277 |
| Heavy Atoms | 37 |
| Complexity | 1092.8965 |
Chemical Identifiers
| CAS Number | 301648-08-8 |
|---|---|
| SMILES | CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)C/C/5=C/CCCCCC5.[I-] |
Product Overview
J-113863, trans- (CAS 301648-08-8), with molecular formula C30H37Cl2IN2O2 and molecular weight 654.13 g/mol. IUPAC: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide.
Chemical Property Profile of J-113863, trans-
Property Insights of J-113863, trans-
The XLogP value of 4.6309 indicates that J-113863, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, J-113863, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J-113863, trans- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J-113863, trans-?
The CAS number of J-113863, trans- is 301648-08-8.
What is the molecular formula of J-113863, trans-?
The molecular formula of J-113863, trans- is C30H37Cl2IN2O2.
What is the molecular weight of J-113863, trans-?
The molecular weight of J-113863, trans- is 654.13 g/mol.
Where can I buy J-113863, trans-?
You can request a quote for J-113863, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J-113863, trans-?
Yes, KEHONG BIO provides custom synthesis services for J-113863, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.