Itrocinonide
TL;DR: Itrocinonide (CAS 106033-96-9) is a chemical compound with molecular formula C29H38F2O9 and molecular weight 568.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-ethoxycarbonyloxyethyl] (1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylate
Also Known As: Itrocinonide, Itrocinonida, Itrocinonide [INN], [(1S)-1-ethoxycarbonyloxyethyl] (1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylate, Androsta-1,4-diene-17-carboxylicacid, 16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxo-,(1S)-1-[(ethoxycarbonyl)oxy]ethyl ester, (6a,11b,16a,17a)-
| Molecular Formula | C29H38F2O9 |
|---|---|
| Molecular Weight | 568.25 g/mol |
| LogP | 4.2578 |
| Topological Polar Surface Area | 117.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 568.2484 |
| Heavy Atoms | 40 |
| Complexity | 1140.5386 |
Chemical Identifiers
| CAS Number | 106033-96-9 |
|---|---|
| SMILES | CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)O[C@H](C)OC(=O)OCC)C)O)F)C)F |
Product Overview
Itrocinonide (CAS 106033-96-9), with molecular formula C29H38F2O9 and molecular weight 568.25 g/mol. IUPAC: [(1S)-1-ethoxycarbonyloxyethyl] (1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylate.
Chemical Property Profile of Itrocinonide
Property Insights of Itrocinonide
The XLogP value of 4.2578 indicates that Itrocinonide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Itrocinonide. Following Lipinski's Rule of Five, Itrocinonide has 1 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 Itrocinonide?
The CAS number of Itrocinonide is 106033-96-9.
What is the molecular formula of Itrocinonide?
The molecular formula of Itrocinonide is C29H38F2O9.
What is the molecular weight of Itrocinonide?
The molecular weight of Itrocinonide is 568.25 g/mol.
Where can I buy Itrocinonide?
You can request a quote for Itrocinonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itrocinonide?
Yes, KEHONG BIO provides custom synthesis services for Itrocinonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.