(S)-老头掌碱
TL;DR: (S)-老头掌碱 (CAS 519-04-0) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-老头掌碱
4-methoxy-9-methyl-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinoline
Also Known As: Anhalonine, 4-methoxy-9-methyl-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinoline, 1,3-Dioxolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)-
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 519-04-0 |
|---|---|
| SMILES | CC1C2=C3C(=C(C=C2CCN1)OC)OCO3 |
| InChIKey | YEGBVDVRKMCCON-UHFFFAOYSA-N |
Product Overview
(S)-老头掌碱 (CAS 519-04-0), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 4-methoxy-9-methyl-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinoline.
Chemical Property Profile of (S)-老头掌碱
Property Insights of (S)-老头掌碱
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-老头掌碱. With a topological polar surface area (TPSA) of 39.7 Ų, (S)-老头掌碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-老头掌碱 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 (S)-老头掌碱?
The CAS number of (S)-老头掌碱 is 519-04-0.
What is the molecular formula of (S)-老头掌碱?
The molecular formula of (S)-老头掌碱 is C12H15NO3.
What is the molecular weight of (S)-老头掌碱?
The molecular weight of (S)-老头掌碱 is 221.11 g/mol.
Where can I buy (S)-老头掌碱?
You can request a quote for (S)-老头掌碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-老头掌碱?
Yes, KEHONG BIO provides custom synthesis services for (S)-老头掌碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.