去乙酰基白坚木碱
TL;DR: 去乙酰基白坚木碱 (CAS 2447-50-9) is a chemical compound with molecular formula C20H28N2O and molecular weight 312.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去乙酰基白坚木碱
12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-triene
Also Known As: Deacetylaspidospermine, Desacetylaspidospermine, Aspidospermine, deacetyl-, (+)-N-Deacetylaspidospermine, (+)-Deacetylaspidospermine
| Molecular Formula | C20H28N2O |
|---|---|
| Molecular Weight | 312.22 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.22015 |
| Heavy Atoms | 23 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 2447-50-9 |
|---|---|
| SMILES | CCC12CCCN3C1C4(CC3)C(CC2)NC5=C4C=CC=C5OC |
| InChIKey | NGBPTTMEDUDCAG-UHFFFAOYSA-N |
Product Overview
去乙酰基白坚木碱 (CAS 2447-50-9), with molecular formula C20H28N2O and molecular weight 312.22 g/mol. IUPAC: 12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-triene.
Chemical Property Profile of 去乙酰基白坚木碱
Property Insights of 去乙酰基白坚木碱
The XLogP value of 4.0 indicates that 去乙酰基白坚木碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.5 Ų, 去乙酰基白坚木碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 去乙酰基白坚木碱 has 1 hydrogen bond donor(s) and 3 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 去乙酰基白坚木碱?
The CAS number of 去乙酰基白坚木碱 is 2447-50-9.
What is the molecular formula of 去乙酰基白坚木碱?
The molecular formula of 去乙酰基白坚木碱 is C20H28N2O.
What is the molecular weight of 去乙酰基白坚木碱?
The molecular weight of 去乙酰基白坚木碱 is 312.22 g/mol.
Where can I buy 去乙酰基白坚木碱?
You can request a quote for 去乙酰基白坚木碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去乙酰基白坚木碱?
Yes, KEHONG BIO provides custom synthesis services for 去乙酰基白坚木碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.