Cymegesolate
TL;DR: Cymegesolate (CAS 83890-29-3) is a chemical compound with molecular formula C32H46O5 and molecular weight 510.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
Also Known As: Cymegesolate, Progestin I, Progestagen I, Progestagen, [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
| Molecular Formula | C32H46O5 |
|---|---|
| Molecular Weight | 510.33 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.33453 |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 83890-29-3 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)OC(=O)CCC5CCCC5)C |
| InChIKey | WAHQVRCNDCHDIB-QZYSPNBYSA-N |
Product Overview
Cymegesolate (CAS 83890-29-3), with molecular formula C32H46O5 and molecular weight 510.33 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate.
Chemical Property Profile of Cymegesolate
Property Insights of Cymegesolate
The XLogP value of 6.3 indicates that Cymegesolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cymegesolate. Following Lipinski's Rule of Five, Cymegesolate has 0 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 Cymegesolate?
The CAS number of Cymegesolate is 83890-29-3.
What is the molecular formula of Cymegesolate?
The molecular formula of Cymegesolate is C32H46O5.
What is the molecular weight of Cymegesolate?
The molecular weight of Cymegesolate is 510.33 g/mol.
Where can I buy Cymegesolate?
You can request a quote for Cymegesolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cymegesolate?
Yes, KEHONG BIO provides custom synthesis services for Cymegesolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.