KST-1B5013
TL;DR: KST-1B5013 (CAS 53653-66-0) is a chemical compound with molecular formula C18H23IN2O and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methyl-4a,9-dihydro-4H-pyrido[3,4-b]indol-2-ium-1-yl)methyl]cyclopentan-1-ol iodide
Also Known As: KST-1B5013, 4a,9a-Dihydro-1-(1-hydroxycyclopentylmethyl)-2(or 9)-methyl-9H-pyrido(3,4-b)indolium iodide, 1-[(1-hydroxycyclopentyl)methyl]-2-methyl-4a,9-dihydro-4h-, A-carbolin-2-ium iodide, 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxycyclopentylmethyl)-2(or 9)-methyl-, iodide
| Molecular Formula | C18H23IN2O |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 0.2233 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.0855 |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 53653-66-0 |
|---|---|
| SMILES | C[N+]1=CCC2C3=CC=CC=C3NC2=C1CC4(CCCC4)O.[I-] |
| InChIKey | NNFWSFOGCKWZKI-UHFFFAOYSA-M |
Product Overview
KST-1B5013 (CAS 53653-66-0), with molecular formula C18H23IN2O and molecular weight 410.09 g/mol. IUPAC: 1-[(2-methyl-4a,9-dihydro-4H-pyrido[3,4-b]indol-2-ium-1-yl)methyl]cyclopentan-1-ol iodide.
Chemical Property Profile of KST-1B5013
Property Insights of KST-1B5013
The XLogP value of 0.2233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B5013. With a topological polar surface area (TPSA) of 35.3 Ų, KST-1B5013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B5013 has 2 hydrogen bond donor(s) and 3 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 KST-1B5013?
The CAS number of KST-1B5013 is 53653-66-0.
What is the molecular formula of KST-1B5013?
The molecular formula of KST-1B5013 is C18H23IN2O.
What is the molecular weight of KST-1B5013?
The molecular weight of KST-1B5013 is 410.09 g/mol.
Where can I buy KST-1B5013?
You can request a quote for KST-1B5013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B5013?
Yes, KEHONG BIO provides custom synthesis services for KST-1B5013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.