Delequamine Hydrochloride
TL;DR: Delequamine Hydrochloride (CAS 14133-24-5) is a chemical compound with molecular formula C18H27ClN2O3S and molecular weight 386.14 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;hydrochloride
Also Known As: Delequamine HCl, DELEQUAMINE HYDROCHLORIDE, Delquamine, Delequamine hydrochloride [USAN], Delequamine (hydrochloride)
| Molecular Formula | C18H27ClN2O3S |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 2.4601 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.1431 |
| Heavy Atoms | 25 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 14133-24-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[C@@H]3C[C@H]4[C@H](CCCN4S(=O)(=O)C)CN3CC2.Cl |
| InChIKey | ITJOISLXCMAIOC-CVLULELNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Delequamine Hydrochloride (CAS 14133-24-5), with molecular formula C18H27ClN2O3S and molecular weight 386.14 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;hydrochloride.
Chemical Property Profile of Delequamine Hydrochloride
Property Insights of Delequamine Hydrochloride
The XLogP value of 2.4601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Delequamine Hydrochloride. With a topological polar surface area (TPSA) of 58.2 Ų, Delequamine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Delequamine Hydrochloride has 1 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 Hydrochloride?
The CAS number of Delequamine Hydrochloride is 14133-24-5.
What is the molecular formula of Delequamine Hydrochloride?
The molecular formula of Delequamine Hydrochloride is C18H27ClN2O3S.
What is the molecular weight of Delequamine Hydrochloride?
The molecular weight of Delequamine Hydrochloride is 386.14 g/mol.
Where can I buy Delequamine Hydrochloride?
You can request a quote for Delequamine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delequamine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Delequamine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.