2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate
TL;DR: 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate (CAS 132633-86-4) is a chemical compound with molecular formula C22H24Br2O4 and molecular weight 510.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S)-3-acetyloxy-2,4-dibromo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 2,4-Dbtdd, 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate, 2,4-dibromoestra-1(10),2,4,6-tetraene-3,17-diyl diacetate, 2,4-dibromoestra-1,3,5(10),6-tetraene-3,17EC-diol diacetate, [(8R,9S,13S,14S)-3-acetyloxy-2,4-dibromo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C22H24Br2O4 |
|---|---|
| Molecular Weight | 510.00 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 510.00412 |
| Heavy Atoms | 28 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 132633-86-4 |
|---|---|
| SMILES | CC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=C(C(=C(C=C34)Br)OC(=O)C)Br)C |
| InChIKey | KLMUHEKLYJFXEB-HCHCUJDGSA-N |
Product Overview
2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate (CAS 132633-86-4), with molecular formula C22H24Br2O4 and molecular weight 510.00 g/mol. IUPAC: [(8R,9S,13S,14S)-3-acetyloxy-2,4-dibromo-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate
Property Insights of 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate
The XLogP value of 5.8 indicates that 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol 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, 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol 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 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate?
The CAS number of 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate is 132633-86-4.
What is the molecular formula of 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate?
The molecular formula of 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate is C22H24Br2O4.
What is the molecular weight of 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate?
The molecular weight of 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate is 510.00 g/mol.
Where can I buy 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate?
You can request a quote for 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromoestra-1,3,5(10),6-tetraene-3,17-diol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.