Dehydrotetrastachyne
TL;DR: Dehydrotetrastachyne (CAS 91853-53-1) is a chemical compound with molecular formula C42H48N4O6 and molecular weight 704.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 12-ethyl-6-[(17-ethyl-6-hydroxy-1-methoxycarbonyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-5-yl)oxy]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
Also Known As: Aspidospermidine, Dehydrotetrastachyne, 5,5-diethyl-2-propan-2-yloxy-1H-pyrimidine-4,6-dione, 5,5-diethyl-2-(propan-2-yloxy)pyrimidine-4,6(1h,5h)-dione, Methyl 13-hydroxy-14-{[3-(methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-17-yl]oxy}ibogamine-18-carboxylate
| Molecular Formula | C42H48N4O6 |
|---|---|
| Molecular Weight | 704.36 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 704.35736 |
| Heavy Atoms | 52 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 91853-53-1 |
|---|---|
| SMILES | CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC(=C5OC6=CC=CC7=C6NC8=C(CC9(C=CCN1C9C78CC1)CC)C(=O)OC)O)C(=O)OC |
| InChIKey | KCVFUQASWJSPBS-UHFFFAOYSA-N |
Product Overview
Dehydrotetrastachyne (CAS 91853-53-1), with molecular formula C42H48N4O6 and molecular weight 704.36 g/mol. IUPAC: methyl 12-ethyl-6-[(17-ethyl-6-hydroxy-1-methoxycarbonyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-5-yl)oxy]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate.
Chemical Property Profile of Dehydrotetrastachyne
Property Insights of Dehydrotetrastachyne
The XLogP value of 6.2 indicates that Dehydrotetrastachyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydrotetrastachyne. Following Lipinski's Rule of Five, Dehydrotetrastachyne has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dehydrotetrastachyne?
The CAS number of Dehydrotetrastachyne is 91853-53-1.
What is the molecular formula of Dehydrotetrastachyne?
The molecular formula of Dehydrotetrastachyne is C42H48N4O6.
What is the molecular weight of Dehydrotetrastachyne?
The molecular weight of Dehydrotetrastachyne is 704.36 g/mol.
Where can I buy Dehydrotetrastachyne?
You can request a quote for Dehydrotetrastachyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrotetrastachyne?
Yes, KEHONG BIO provides custom synthesis services for Dehydrotetrastachyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.