Isosungucine
TL;DR: Isosungucine (CAS 279684-12-7) is a chemical compound with molecular formula C42H42N4O2 and molecular weight 634.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,12S,13R,14E,19S,21S)-14-ethylidene-10-[(1R,13S,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-17-yl]-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-9-one
Also Known As: Isosungucine, (1R,12S,13R,14E,19S,21S)-14-ethylidene-10-[(1R,13S,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-17-yl]-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-9-one, (1R,12S,13R,14E,19S,21S)-14-ethylidene-10-((1R,13S,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo(11.5.2.11,8.02,7.016,19.012,21)henicosa-2,4,6,11-tetraen-17-yl)-8,16-diazahexacyclo(11.5.2.11,8.02,7.016,19.012,21)henicosa-2,4,6,10-tetraen-9-one, (1R,13S,14E,19S,21S)-14-ethylidene-10-((1R,12S,13R,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo(11.5.2.11,8.02,7.016,19.012,21)henicosa-2,4,6,10-tetraen-17-yl)-8,16-diazahexacyclo(11.5.2.11,8.02,7.016,19.012,21)henicosa-2,4,6,11-tetraen-9-one
| Molecular Formula | C42H42N4O2 |
|---|---|
| Molecular Weight | 634.33 g/mol |
| LogP | 5.6559 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 634.33075 |
| Heavy Atoms | 48 |
| Complexity | 2023.6893 |
Chemical Identifiers
| CAS Number | 279684-12-7 |
|---|---|
| SMILES | C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N(C6=CC=CC=C46)C(=O)C(=C5)[C@H]7C[C@@]89[C@H]1N7C/C(=C/C)/[C@H](C1)C1=CCC(=O)N([C@@H]18)C1=CC=CC=C91 |
Product Overview
Isosungucine (CAS 279684-12-7), with molecular formula C42H42N4O2 and molecular weight 634.33 g/mol. IUPAC: (1R,12S,13R,14E,19S,21S)-14-ethylidene-10-[(1R,13S,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-17-yl]-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-9-one.
Chemical Property Profile of Isosungucine
Property Insights of Isosungucine
The XLogP value of 5.6559 indicates that Isosungucine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.1 Ų, Isosungucine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isosungucine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isosungucine?
The CAS number of Isosungucine is 279684-12-7.
What is the molecular formula of Isosungucine?
The molecular formula of Isosungucine is C42H42N4O2.
What is the molecular weight of Isosungucine?
The molecular weight of Isosungucine is 634.33 g/mol.
Where can I buy Isosungucine?
You can request a quote for Isosungucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosungucine?
Yes, KEHONG BIO provides custom synthesis services for Isosungucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.