Aglaiastatin
TL;DR: Aglaiastatin (CAS 176785-78-7) is a chemical compound with molecular formula C31H30N2O6 and molecular weight 526.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10R,11R,18S)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6-tetraen-13-one
Also Known As: Aglaiastatin, Aglaiastatine, (+)-Aglaiastatin, (1R)-1beta-Phenyl-2-(4-methoxyphenyl)-3-hydroxy-13,15-dimethoxy-2alpha,3alpha-(epoxy[1,2]benzeno)-1,2,3,4,4abeta,5,6,7-octahydro-9H-cyclopenta[d]pyrrolo[1,2-a]pyrimidine-9-one, (2S,10R,11R,18S)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo(10.7.0.02,10.03,8.014,18)nonadeca-1(12),3(8),4,6-tetraen-13-one
| Molecular Formula | C31H30N2O6 |
|---|---|
| Molecular Weight | 526.21 g/mol |
| LogP | 3.7911 |
| Topological Polar Surface Area | 89.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.2104 |
| Heavy Atoms | 39 |
| Complexity | 1503.4636 |
Chemical Identifiers
| CAS Number | 176785-78-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@]23[C@@H](C4=C([C@]2(C5=C(O3)C=C(C=C5OC)OC)O)N[C@@H]6CCCN6C4=O)C7=CC=CC=C7 |
Product Overview
Aglaiastatin (CAS 176785-78-7), with molecular formula C31H30N2O6 and molecular weight 526.21 g/mol. IUPAC: (2S,10R,11R,18S)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6-tetraen-13-one.
Chemical Property Profile of Aglaiastatin
Property Insights of Aglaiastatin
The XLogP value of 3.7911 indicates that Aglaiastatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Aglaiastatin. Following Lipinski's Rule of Five, Aglaiastatin has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aglaiastatin?
The CAS number of Aglaiastatin is 176785-78-7.
What is the molecular formula of Aglaiastatin?
The molecular formula of Aglaiastatin is C31H30N2O6.
What is the molecular weight of Aglaiastatin?
The molecular weight of Aglaiastatin is 526.21 g/mol.
Where can I buy Aglaiastatin?
You can request a quote for Aglaiastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aglaiastatin?
Yes, KEHONG BIO provides custom synthesis services for Aglaiastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.