Delequamine
TL;DR: Delequamine (CAS 119905-05-4) is a chemical compound with molecular formula C18H26N2O3S and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
Also Known As: Delequamine, Delecuamina, delequaminum, DMMIN, rel-Delequamine
| Molecular Formula | C18H26N2O3S |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.1664 |
| Heavy Atoms | 24 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 119905-05-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[C@@H]3C[C@H]4[C@H](CCCN4S(=O)(=O)C)CN3CC2 |
| InChIKey | JKDBLHWERQWYKF-JLSDUUJJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Delequamine (CAS 119905-05-4), with molecular formula C18H26N2O3S and molecular weight 350.17 g/mol. IUPAC: (8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine.
Chemical Property Profile of Delequamine
Property Insights of Delequamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Delequamine. With a topological polar surface area (TPSA) of 58.2 Ų, Delequamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Delequamine has 0 hydrogen bond donor(s) and 5 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 Delequamine?
The CAS number of Delequamine is 119905-05-4.
What is the molecular formula of Delequamine?
The molecular formula of Delequamine is C18H26N2O3S.
What is the molecular weight of Delequamine?
The molecular weight of Delequamine is 350.17 g/mol.
Where can I buy Delequamine?
You can request a quote for Delequamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delequamine?
Yes, KEHONG BIO provides custom synthesis services for Delequamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.