18,21-Aldosterone diacetate 3-carboxymethyloxime
TL;DR: 18,21-Aldosterone diacetate 3-carboxymethyloxime (CAS 29415-05-2) is a chemical compound with molecular formula C27H35NO9 and molecular weight 517.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-[(2S,5S,6S,14R,15S,16S)-18-acetyloxy-2-(2-acetyloxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-ylidene]amino]oxyacetic acid
Also Known As: Cid 9578259, 18,21-Aldosterone diacetate 3-carboxymethyloxime, 2-[(Z)-[(2S,5S,6S,14R,15S,16S)-18-Acetyloxy-2-(2-acetyloxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-ylidene]amino]oxyacetic acid, Pregn-4-ene-3,20-dione, 18,21-bis(acetyloxy)-11,18-epoxy-, 3-(O-(carboxymethyl)oxime), (11beta)-, Pregn-4-ene-3,20-dione,18,21-bis(acetyloxy)-11,18-epoxy-, 3-[O-(carboxymethyl)oxime], (11b)- (9CI)
| Molecular Formula | C27H35NO9 |
|---|---|
| Molecular Weight | 517.23 g/mol |
| LogP | 3.0328 |
| Topological Polar Surface Area | 137.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.2312 |
| Heavy Atoms | 37 |
| Complexity | 1066.0951 |
Chemical Identifiers
| CAS Number | 29415-05-2 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@H]1CC[C@@H]2C13C[C@@H]([C@H]4[C@H]2CCC5=C/C(=N\OCC(=O)O)/CC[C@]45C)OC3OC(=O)C |
Product Overview
18,21-Aldosterone diacetate 3-carboxymethyloxime (CAS 29415-05-2), with molecular formula C27H35NO9 and molecular weight 517.23 g/mol. IUPAC: 2-[(Z)-[(2S,5S,6S,14R,15S,16S)-18-acetyloxy-2-(2-acetyloxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-ylidene]amino]oxyacetic acid.
Chemical Property Profile of 18,21-Aldosterone diacetate 3-carboxymethyloxime
Property Insights of 18,21-Aldosterone diacetate 3-carboxymethyloxime
The XLogP value of 3.0328 indicates that 18,21-Aldosterone diacetate 3-carboxymethyloxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 18,21-Aldosterone diacetate 3-carboxymethyloxime. Following Lipinski's Rule of Five, 18,21-Aldosterone diacetate 3-carboxymethyloxime 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 18,21-Aldosterone diacetate 3-carboxymethyloxime?
The CAS number of 18,21-Aldosterone diacetate 3-carboxymethyloxime is 29415-05-2.
What is the molecular formula of 18,21-Aldosterone diacetate 3-carboxymethyloxime?
The molecular formula of 18,21-Aldosterone diacetate 3-carboxymethyloxime is C27H35NO9.
What is the molecular weight of 18,21-Aldosterone diacetate 3-carboxymethyloxime?
The molecular weight of 18,21-Aldosterone diacetate 3-carboxymethyloxime is 517.23 g/mol.
Where can I buy 18,21-Aldosterone diacetate 3-carboxymethyloxime?
You can request a quote for 18,21-Aldosterone diacetate 3-carboxymethyloxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18,21-Aldosterone diacetate 3-carboxymethyloxime?
Yes, KEHONG BIO provides custom synthesis services for 18,21-Aldosterone diacetate 3-carboxymethyloxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.