KST-1A3692
TL;DR: KST-1A3692 (CAS 31241-25-5) is a chemical compound with molecular formula C36H48N2O10 and molecular weight 668.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate
Also Known As: KST-1A3692, KST-1A3693, [(1, A,6, A,10xi,13xi,14
| Molecular Formula | C36H48N2O10 |
|---|---|
| Molecular Weight | 668.33 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 668.3309 |
| Heavy Atoms | 48 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 31241-25-5 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H](C6CC4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CCC8=O |
| InChIKey | KFXVNXQXPRPLQA-GPQNJKLASA-N |
Product Overview
KST-1A3692 (CAS 31241-25-5), with molecular formula C36H48N2O10 and molecular weight 668.33 g/mol. IUPAC: [(3R,4S,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate.
Chemical Property Profile of KST-1A3692
Property Insights of KST-1A3692
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A3692. The TPSA of 144.0 Ų indicates high polarity, suggesting KST-1A3692 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A3692 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A3692?
The CAS number of KST-1A3692 is 31241-25-5.
What is the molecular formula of KST-1A3692?
The molecular formula of KST-1A3692 is C36H48N2O10.
What is the molecular weight of KST-1A3692?
The molecular weight of KST-1A3692 is 668.33 g/mol.
Where can I buy KST-1A3692?
You can request a quote for KST-1A3692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3692?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.