BRN 2188989
TL;DR: BRN 2188989 (CAS 4233-93-6) is a chemical compound with molecular formula C22H26O6 and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-16-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
Also Known As: 1,3,16-alpha-Trihydroxyestra-1,3,5(10)-trien-17-one 1,3-diacetate, ESTRA-1,3,5(10)-TRIEN-17-ONE, 1,3,16-alpha-TRIHYDROXY-, 1,3-DIACETATE, 16-Hydroxy-17-oxoestra-1(10),2,4-triene-1,3-diyl diacetate, (1-acetyloxy-16-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
| Molecular Formula | C22H26O6 |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.17294 |
| Heavy Atoms | 28 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 4233-93-6 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C3CCC4(C(C3CC2)CC(C4=O)O)C)C(=C1)OC(=O)C |
| InChIKey | JDYCHIRJQXOUAO-UHFFFAOYSA-N |
Product Overview
BRN 2188989 (CAS 4233-93-6), with molecular formula C22H26O6 and molecular weight 386.17 g/mol. IUPAC: (1-acetyloxy-16-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate.
Chemical Property Profile of BRN 2188989
Property Insights of BRN 2188989
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 2188989. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 2188989. Following Lipinski's Rule of Five, BRN 2188989 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 2188989?
The CAS number of BRN 2188989 is 4233-93-6.
What is the molecular formula of BRN 2188989?
The molecular formula of BRN 2188989 is C22H26O6.
What is the molecular weight of BRN 2188989?
The molecular weight of BRN 2188989 is 386.17 g/mol.
Where can I buy BRN 2188989?
You can request a quote for BRN 2188989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 2188989?
Yes, KEHONG BIO provides custom synthesis services for BRN 2188989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.