Sativanine B
TL;DR: Sativanine B (CAS 72361-60-5) is a chemical compound with molecular formula C30H38N4O4 and molecular weight 518.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,7S,10Z)-4-(4-butyl-3-methyl-5-oxoimidazolidin-1-yl)-3-phenyl-7-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraene-5,8-dione
Also Known As: Sativanine B, (3R,4S,7S,10Z)-4-(4-butyl-3-methyl-5-oxoimidazolidin-1-yl)-3-phenyl-7-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraene-5,8-dione, (2Z,6S,9S,10R)-9-(4-butyl-3-methyl-5-oxo-imidazolidin-1-yl)-6-isopropyl-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraene-5,8-dione, (2Z,6S,9S,10R)-9-(4-butyl-3-methyl-5-oxo-imidazolidin-1-yl)-6-isopropyl-10-phenyl-11-oxa-4,7-diazabicyclo(10.2.2)hexadeca-1(14),2,12,15-tetraene-5,8-dione, (2Z,6S,9S,10R)-9-(4-butyl-3-methyl-5-oxoimidazolidin-1-yl)-10-phenyl-6-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraene-5,8-dione
| Molecular Formula | C30H38N4O4 |
|---|---|
| Molecular Weight | 518.29 g/mol |
| LogP | 3.7069 |
| Topological Polar Surface Area | 90.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.2893 |
| Heavy Atoms | 38 |
| Complexity | 1148.6027 |
Chemical Identifiers
| CAS Number | 72361-60-5 |
|---|---|
| SMILES | CCCCC1C(=O)N(CN1C)[C@H]2[C@H](OC3=CC=C(C=C3)/C=C\NC(=O)[C@@H](NC2=O)C(C)C)C4=CC=CC=C4 |
Product Overview
Sativanine B (CAS 72361-60-5), with molecular formula C30H38N4O4 and molecular weight 518.29 g/mol. IUPAC: (3R,4S,7S,10Z)-4-(4-butyl-3-methyl-5-oxoimidazolidin-1-yl)-3-phenyl-7-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraene-5,8-dione.
Chemical Property Profile of Sativanine B
Property Insights of Sativanine B
The XLogP value of 3.7069 indicates that Sativanine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Sativanine B. Following Lipinski's Rule of Five, Sativanine B has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sativanine B?
The CAS number of Sativanine B is 72361-60-5.
What is the molecular formula of Sativanine B?
The molecular formula of Sativanine B is C30H38N4O4.
What is the molecular weight of Sativanine B?
The molecular weight of Sativanine B is 518.29 g/mol.
Where can I buy Sativanine B?
You can request a quote for Sativanine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sativanine B?
Yes, KEHONG BIO provides custom synthesis services for Sativanine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.