Δ-育亨賓
TL;DR: Δ-育亨賓 (CAS 483-04-5) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Δ-育亨賓
methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Also Known As: Tetrahydroalstonine, Indole alkaloid, Ajmalicine, Raubasine, Alstonine, tetrahydro-
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 3.1788 |
| Topological Polar Surface Area | 54.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 899.7933 |
Chemical Identifiers
| CAS Number | 483-04-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C(C3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
Product Overview
Δ-育亨賓 (CAS 483-04-5), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate.
Chemical Property Profile of Δ-育亨賓
Property Insights of Δ-育亨賓
The XLogP value of 3.1788 indicates that Δ-育亨賓 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.56 Ų, Δ-育亨賓 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Δ-育亨賓 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 Δ-育亨賓?
The CAS number of Δ-育亨賓 is 483-04-5.
What is the molecular formula of Δ-育亨賓?
The molecular formula of Δ-育亨賓 is C21H24N2O3.
What is the molecular weight of Δ-育亨賓?
The molecular weight of Δ-育亨賓 is 352.18 g/mol.
Where can I buy Δ-育亨賓?
You can request a quote for Δ-育亨賓 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Δ-育亨賓?
Yes, KEHONG BIO provides custom synthesis services for Δ-育亨賓 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.