(3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate
TL;DR: (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate (CAS 61893-40-1) is a chemical compound with molecular formula C33H57N2O2P and molecular weight 544.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[aziridin-1-yl-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phosphoryl]aziridine
Also Known As: Stigmast-5-en-3-ol, (3.beta.)-, (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate, (17xi)-Stigmast-5-en-3beta-yl bis(aziridin-1-yl)phosphinate, (3.BETA.)-STIGMAST-5-EN-3-OL, BIS(1-AZIRIDINYL)PHOSPHINATE
| Molecular Formula | C33H57N2O2P |
|---|---|
| Molecular Weight | 544.42 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.4158 |
| Heavy Atoms | 38 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 61893-40-1 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OP(=O)(N5CC5)N6CC6)C)C)C(C)C |
| InChIKey | KGAHEUJKFNWZST-SDWIZJKGSA-N |
Product Overview
(3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate (CAS 61893-40-1), with molecular formula C33H57N2O2P and molecular weight 544.42 g/mol. IUPAC: 1-[aziridin-1-yl-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phosphoryl]aziridine.
Chemical Property Profile of (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate
Property Insights of (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate
The XLogP value of 9.2 indicates that (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate 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 (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate?
The CAS number of (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate is 61893-40-1.
What is the molecular formula of (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate?
The molecular formula of (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate is C33H57N2O2P.
What is the molecular weight of (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate?
The molecular weight of (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate is 544.42 g/mol.
Where can I buy (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate?
You can request a quote for (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for (3beta)-Stigmast-5-EN-3-OL, bis(1-aziridinyl)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.