1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester
TL;DR: 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester (CAS 93398-55-1) is a chemical compound with molecular formula C24H32ClN3O5 and molecular weight 477.20306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
Also Known As: CNC-ala-E2-17-ester, Sid 209488, 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester, 2-chloroethylnitrosocarbamoyl-L-alanine 17-oestradiol ester, 3-hydroxyestra-1,3,5(10)-trien-17-yl n-[(2-chloroethyl)(nitroso)carbamoyl]alaninate
Technical Specifications
| Molecular Formula | C24H32ClN3O5 |
| Molecular Weight | 477.20306 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.20306 Da |
| Heavy Atoms | 33 |
| Complexity | 754.0 |
| SMILES | CC(C(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)NC(=O)N(CCCl)N=O |
| InChIKey | LHNZBVWWOZMRLW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester
Property Insights of 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester
The XLogP value of 5.2 indicates that 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester?
The CAS number of 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester is 93398-55-1.
What is the molecular formula of 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester?
The molecular formula of 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester is C24H32ClN3O5.
What is the molecular weight of 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester?
The molecular weight of 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester is 477.20306 g/mol.
Where can I buy 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester?
You can request a quote for 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester?
Yes, CoreyChem provides custom synthesis services for 1-(2-Chloroethyl)-1-nitrosocarbamoylalanine estradiol-17-ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.