N-(4-Iodophenyl)pregnenolone 3-carbamate
TL;DR: N-(4-Iodophenyl)pregnenolone 3-carbamate (CAS 124824-12-0) is a chemical compound with molecular formula C28H36INO3 and molecular weight 561.174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-iodophenyl)carbamate
Also Known As: 4-Ippc, N-(4-Iodophenyl)pregnenolone 3-carbamate, (3beta)-3-((((4-Iodophenyl)amino)carbonyl)oxy)pregn-5-en-20-one, (3beta)-20-oxopregn-5-en-3-yl (4-iodophenyl)carbamate, 20-Oxopregn-5-en-3-yl (4-iodophenyl)carbamate
Technical Specifications
| Molecular Formula | C28H36INO3 |
| Molecular Weight | 561.174 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 561.174 Da |
| Heavy Atoms | 33 |
| Complexity | 818.0 |
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NC5=CC=C(C=C5)I)C)C |
| InChIKey | NVKBMJWRJHYUAC-PUWKGJKWSA-N |
Chemical Property Profile of N-(4-Iodophenyl)pregnenolone 3-carbamate
Property Insights of N-(4-Iodophenyl)pregnenolone 3-carbamate
The XLogP value of 6.8 indicates that N-(4-Iodophenyl)pregnenolone 3-carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, N-(4-Iodophenyl)pregnenolone 3-carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Iodophenyl)pregnenolone 3-carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(4-Iodophenyl)pregnenolone 3-carbamate?
The CAS number of N-(4-Iodophenyl)pregnenolone 3-carbamate is 124824-12-0.
What is the molecular formula of N-(4-Iodophenyl)pregnenolone 3-carbamate?
The molecular formula of N-(4-Iodophenyl)pregnenolone 3-carbamate is C28H36INO3.
What is the molecular weight of N-(4-Iodophenyl)pregnenolone 3-carbamate?
The molecular weight of N-(4-Iodophenyl)pregnenolone 3-carbamate is 561.174 g/mol.
Where can I buy N-(4-Iodophenyl)pregnenolone 3-carbamate?
You can request a quote for N-(4-Iodophenyl)pregnenolone 3-carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-Iodophenyl)pregnenolone 3-carbamate?
Yes, CoreyChem provides custom synthesis services for N-(4-Iodophenyl)pregnenolone 3-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.