11 Beta-(1-aziridinylmethyl)estradiol
TL;DR: 11 Beta-(1-aziridinylmethyl)estradiol (CAS 76583-06-7) is a chemical compound with molecular formula C21H29NO2 and molecular weight 327.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,13S,14S,17S)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: Org 5895, 11 beta-(1-aziridinylmethyl)estradiol, 11beta-(1-Aziridinylmethyl)estradiol, (8S,9R,13S,14S,17S)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, 11-[(Aziridin-1-yl)methyl]estra-1(10),2,4-triene-3,17-diol
| Molecular Formula | C21H29NO2 |
|---|---|
| Molecular Weight | 327.22 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.21982 |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 76583-06-7 |
|---|---|
| SMILES | C[C@]12CC([C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O)CN5CC5 |
| InChIKey | HEEPORQSZTZTBT-CRBRIEKSSA-N |
Product Overview
11 Beta-(1-aziridinylmethyl)estradiol (CAS 76583-06-7), with molecular formula C21H29NO2 and molecular weight 327.22 g/mol. IUPAC: (8S,9R,13S,14S,17S)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 11 Beta-(1-aziridinylmethyl)estradiol
Property Insights of 11 Beta-(1-aziridinylmethyl)estradiol
The XLogP value of 3.5 indicates that 11 Beta-(1-aziridinylmethyl)estradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.5 Ų, 11 Beta-(1-aziridinylmethyl)estradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11 Beta-(1-aziridinylmethyl)estradiol has 2 hydrogen bond donor(s) and 3 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 11 Beta-(1-aziridinylmethyl)estradiol?
The CAS number of 11 Beta-(1-aziridinylmethyl)estradiol is 76583-06-7.
What is the molecular formula of 11 Beta-(1-aziridinylmethyl)estradiol?
The molecular formula of 11 Beta-(1-aziridinylmethyl)estradiol is C21H29NO2.
What is the molecular weight of 11 Beta-(1-aziridinylmethyl)estradiol?
The molecular weight of 11 Beta-(1-aziridinylmethyl)estradiol is 327.22 g/mol.
Where can I buy 11 Beta-(1-aziridinylmethyl)estradiol?
You can request a quote for 11 Beta-(1-aziridinylmethyl)estradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11 Beta-(1-aziridinylmethyl)estradiol?
Yes, KEHONG BIO provides custom synthesis services for 11 Beta-(1-aziridinylmethyl)estradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.