帽柱木鹼
TL;DR: 帽柱木鹼 (CAS 4098-40-2) is a chemical compound with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
帽柱木鹼
methyl 2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Also Known As: (E)-Methyl 2-((2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyacrylate
| Molecular Formula | C23H30N2O4 |
|---|---|
| Molecular Weight | 398.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.22055 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 4098-40-2 |
|---|---|
| SMILES | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)OC |
| InChIKey | LELBFTMXCIIKKX-ALKREAHSSA-N |
Product Overview
帽柱木鹼 (CAS 4098-40-2), with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol. IUPAC: methyl 2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate.
Chemical Property Profile of 帽柱木鹼
Property Insights of 帽柱木鹼
The XLogP value of 3.4 indicates that 帽柱木鹼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 帽柱木鹼. Following Lipinski's Rule of Five, 帽柱木鹼 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 帽柱木鹼?
The CAS number of 帽柱木鹼 is 4098-40-2.
What is the molecular formula of 帽柱木鹼?
The molecular formula of 帽柱木鹼 is C23H30N2O4.
What is the molecular weight of 帽柱木鹼?
The molecular weight of 帽柱木鹼 is 398.22 g/mol.
Where can I buy 帽柱木鹼?
You can request a quote for 帽柱木鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 帽柱木鹼?
Yes, KEHONG BIO provides custom synthesis services for 帽柱木鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.