KST-1A5004
TL;DR: KST-1A5004 (CAS 4858-36-0) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid
Also Known As: KST-1A5004, (3s,11bs)-9-methoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid, 9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-c, (3S,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid, 9-Methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carboxylic acid
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 4858-36-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[C@@H]3CC[C@@H](CN3CC2)C(=O)O |
| InChIKey | CMZIZIPSUFOSEU-FZMZJTMJSA-N |
Product Overview
KST-1A5004 (CAS 4858-36-0), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: (3S,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid.
Chemical Property Profile of KST-1A5004
Property Insights of KST-1A5004
The XLogP value of -0.5 indicates that KST-1A5004 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.8 Ų, KST-1A5004 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A5004 has 1 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-1A5004?
The CAS number of KST-1A5004 is 4858-36-0.
What is the molecular formula of KST-1A5004?
The molecular formula of KST-1A5004 is C15H19NO3.
What is the molecular weight of KST-1A5004?
The molecular weight of KST-1A5004 is 261.14 g/mol.
Where can I buy KST-1A5004?
You can request a quote for KST-1A5004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A5004?
Yes, KEHONG BIO provides custom synthesis services for KST-1A5004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.