Estradiol-3N-diethylcarbamate-17beta phosphate
TL;DR: Estradiol-3N-diethylcarbamate-17beta phosphate (CAS 56397-06-9) is a chemical compound with molecular formula C23H34NO6P and molecular weight 451.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate
Also Known As: Dinitrogen-N-sulfide, Estradiol-3N-diethylcarbamate-17beta phosphate, 17-(Phosphonooxy)estra-1(10),2,4-trien-3-yl diethylcarbamate, 17beta-(Phosphonooxy)estra-1(10),2,4-trien-3-yl diethylcarbamate, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(diethylcarbamate) 17-(dihydrogen phosphate)
| Molecular Formula | C23H34NO6P |
|---|---|
| Molecular Weight | 451.21 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.21237 |
| Heavy Atoms | 31 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 56397-06-9 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OP(=O)(O)O)C |
| InChIKey | GESPYTQTQRQEPQ-RBRWEJTLSA-N |
Product Overview
Estradiol-3N-diethylcarbamate-17beta phosphate (CAS 56397-06-9), with molecular formula C23H34NO6P and molecular weight 451.21 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate.
Chemical Property Profile of Estradiol-3N-diethylcarbamate-17beta phosphate
Property Insights of Estradiol-3N-diethylcarbamate-17beta phosphate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estradiol-3N-diethylcarbamate-17beta phosphate. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol-3N-diethylcarbamate-17beta phosphate. Following Lipinski's Rule of Five, Estradiol-3N-diethylcarbamate-17beta phosphate has 2 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 Estradiol-3N-diethylcarbamate-17beta phosphate?
The CAS number of Estradiol-3N-diethylcarbamate-17beta phosphate is 56397-06-9.
What is the molecular formula of Estradiol-3N-diethylcarbamate-17beta phosphate?
The molecular formula of Estradiol-3N-diethylcarbamate-17beta phosphate is C23H34NO6P.
What is the molecular weight of Estradiol-3N-diethylcarbamate-17beta phosphate?
The molecular weight of Estradiol-3N-diethylcarbamate-17beta phosphate is 451.21 g/mol.
Where can I buy Estradiol-3N-diethylcarbamate-17beta phosphate?
You can request a quote for Estradiol-3N-diethylcarbamate-17beta phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol-3N-diethylcarbamate-17beta phosphate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol-3N-diethylcarbamate-17beta phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.