Atromid (Ayerst 647)
TL;DR: Atromid (Ayerst 647) (CAS 82120-27-2) is a chemical compound with molecular formula C31H45ClO5 and molecular weight 532.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Also Known As: Atromid, Atromid (Ayerst 647), 4-trichloromethyl benzaldehyde, ethyl 2-(4-chlorophenoxy)-2-methylpropanoate- 3-hydroxyandrostan-17-one(1:1), Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate--3-hydroxyandrostan-17-one (1/1)
| Molecular Formula | C31H45ClO5 |
|---|---|
| Molecular Weight | 532.30 g/mol |
| LogP | 7.0196 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.29553 |
| Heavy Atoms | 37 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 82120-27-2 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl.CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O |
| InChIKey | RDCLSGHGBRLRQE-UHFFFAOYSA-N |
Product Overview
Atromid (Ayerst 647) (CAS 82120-27-2), with molecular formula C31H45ClO5 and molecular weight 532.30 g/mol. IUPAC: ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of Atromid (Ayerst 647)
Property Insights of Atromid (Ayerst 647)
The XLogP value of 7.0196 indicates that Atromid (Ayerst 647) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Atromid (Ayerst 647). Following Lipinski's Rule of Five, Atromid (Ayerst 647) has 1 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 Atromid (Ayerst 647)?
The CAS number of Atromid (Ayerst 647) is 82120-27-2.
What is the molecular formula of Atromid (Ayerst 647)?
The molecular formula of Atromid (Ayerst 647) is C31H45ClO5.
What is the molecular weight of Atromid (Ayerst 647)?
The molecular weight of Atromid (Ayerst 647) is 532.30 g/mol.
Where can I buy Atromid (Ayerst 647)?
You can request a quote for Atromid (Ayerst 647) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atromid (Ayerst 647)?
Yes, KEHONG BIO provides custom synthesis services for Atromid (Ayerst 647) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.