RefChem:387974
TL;DR: RefChem:387974 (CAS 164120-27-8) is a chemical compound with molecular formula C33H56ClN3O4 and molecular weight 593.39594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-[3-hydroxy-2-[(3S,7R,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]propyl]-1-nitrosourea
Also Known As: 7-beta-(2-N-(2-Chloroethyl-N-nitroso-N-carbonyl)amino(hydroxymethyl)ethyl)cholesterol, Urea, N-(2-chloroethyl)-N'-(3-hydroxy-2-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)propyl)-N-nitroso-, N-(2-Chloroethyl)-N'-[3-hydroxy-2-(3-hydroxycholest-5-en-7-yl)propyl]-N-nitrosocarbamimidic acid, N-(2-Chloroethyl)-N'-{3-hydroxy-2-[(8xi,9xi,14xi)-3beta-hydroxycholest-5-en-7beta-yl]propyl}-N-nitrosocarbamimidic acid
Technical Specifications
| Molecular Formula | C33H56ClN3O4 |
| Molecular Weight | 593.39594 g/mol |
| XLogP | 8.1 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 593.39594 Da |
| Heavy Atoms | 41 |
| Complexity | 945.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)C(CNC(=O)N(CCCl)N=O)CO)C |
| InChIKey | ZEJUTJNGMIKUTK-BPXUUHLCSA-N |
Chemical Property Profile of RefChem:387974
Property Insights of RefChem:387974
The XLogP value of 8.1 indicates that RefChem:387974 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:387974. Following Lipinski's Rule of Five, RefChem:387974 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:387974?
The CAS number of RefChem:387974 is 164120-27-8.
What is the molecular formula of RefChem:387974?
The molecular formula of RefChem:387974 is C33H56ClN3O4.
What is the molecular weight of RefChem:387974?
The molecular weight of RefChem:387974 is 593.39594 g/mol.
Where can I buy RefChem:387974?
You can request a quote for RefChem:387974 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:387974?
Yes, CoreyChem provides custom synthesis services for RefChem:387974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.