KST-1A4453
TL;DR: KST-1A4453 (CAS 38776-77-1) is a chemical compound with molecular formula C23H26N2O2 and molecular weight 362.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
Also Known As: KST-1A4453, Tropan-3-alpha-yl-10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate, (1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 10,11-dihydro-5h-benzo[4,5]cyclohepta[1,2-b]pyridine-5-carboxylate, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate (ester), 5H-Benzo[4,5]cyclohepta[1,2-b]pyridine-5-carboxylicacid, 10,11-dihydro-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
| Molecular Formula | C23H26N2O2 |
|---|---|
| Molecular Weight | 362.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.19943 |
| Heavy Atoms | 27 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 38776-77-1 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3C4=C(CCC5=CC=CC=C35)N=CC=C4 |
| InChIKey | CXVIMBRBTBDLHU-RPIYSHSISA-N |
Product Overview
KST-1A4453 (CAS 38776-77-1), with molecular formula C23H26N2O2 and molecular weight 362.20 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate.
Chemical Property Profile of KST-1A4453
Property Insights of KST-1A4453
The XLogP value of 3.9 indicates that KST-1A4453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, KST-1A4453 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A4453 has 0 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 KST-1A4453?
The CAS number of KST-1A4453 is 38776-77-1.
What is the molecular formula of KST-1A4453?
The molecular formula of KST-1A4453 is C23H26N2O2.
What is the molecular weight of KST-1A4453?
The molecular weight of KST-1A4453 is 362.20 g/mol.
Where can I buy KST-1A4453?
You can request a quote for KST-1A4453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4453?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.