pregn-5-ene-3,20-diyl diacetate
TL;DR: pregn-5-ene-3,20-diyl diacetate (CAS 1913-47-9) is a chemical compound with molecular formula C25H38O4 and molecular weight 402.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(1-acetyloxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: pregn-5-ene-3,20-diyl diacetate, 4-(4-Chlorocinnamoyl)morpholine, 5-PREGNEN-3-BETA, 20-ALPHA-DIOL DIACETATE, 4-(3-(4-Chlorophenyl)-1-oxo-2-propenyl)morpholine, [17-(1-acetyloxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C25H38O4 |
|---|---|
| Molecular Weight | 402.28 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.277 |
| Heavy Atoms | 29 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 1913-47-9 |
|---|---|
| SMILES | CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C |
| InChIKey | KNPATZSHRPGJID-UHFFFAOYSA-N |
Product Overview
pregn-5-ene-3,20-diyl diacetate (CAS 1913-47-9), with molecular formula C25H38O4 and molecular weight 402.28 g/mol. IUPAC: [17-(1-acetyloxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of pregn-5-ene-3,20-diyl diacetate
Property Insights of pregn-5-ene-3,20-diyl diacetate
The XLogP value of 5.5 indicates that pregn-5-ene-3,20-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, pregn-5-ene-3,20-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pregn-5-ene-3,20-diyl diacetate 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 pregn-5-ene-3,20-diyl diacetate?
The CAS number of pregn-5-ene-3,20-diyl diacetate is 1913-47-9.
What is the molecular formula of pregn-5-ene-3,20-diyl diacetate?
The molecular formula of pregn-5-ene-3,20-diyl diacetate is C25H38O4.
What is the molecular weight of pregn-5-ene-3,20-diyl diacetate?
The molecular weight of pregn-5-ene-3,20-diyl diacetate is 402.28 g/mol.
Where can I buy pregn-5-ene-3,20-diyl diacetate?
You can request a quote for pregn-5-ene-3,20-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pregn-5-ene-3,20-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for pregn-5-ene-3,20-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.