RefChem:1100823
TL;DR: RefChem:1100823 (CAS 164120-30-3) is a chemical compound with molecular formula C30H50ClN3O3 and molecular weight 535.35406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-[(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]-1-nitrosourea
Also Known As: 7-beta-(2-Chloroethyl-N-nitroso-N-carbonylamino)cholesterol, Urea, N-(2-chloroethyl)-N'-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)-N-nitroso-, N-(2-Chloroethyl)-N'-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)-N-nitrosourea, N-(2-Chloroethyl)-N'-(3-hydroxycholest-5-en-7-yl)-N-nitrosocarbamimidic acid, N-(2-Chloroethyl)-N'-[(8xi,9xi,14xi)-3beta-hydroxycholest-5-en-7beta-yl]-N-nitrosourea
Technical Specifications
| Molecular Formula | C30H50ClN3O3 |
| Molecular Weight | 535.35406 g/mol |
| XLogP | 8.3 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.35406 Da |
| Heavy Atoms | 37 |
| Complexity | 865.0 |
| 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)NC(=O)N(CCCl)N=O)C |
| InChIKey | ILVJEJQFZSRDHX-MOQOIKLESA-N |
Chemical Property Profile of RefChem:1100823
Property Insights of RefChem:1100823
The XLogP value of 8.3 indicates that RefChem:1100823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1100823. Following Lipinski's Rule of Five, RefChem:1100823 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1100823?
The CAS number of RefChem:1100823 is 164120-30-3.
What is the molecular formula of RefChem:1100823?
The molecular formula of RefChem:1100823 is C30H50ClN3O3.
What is the molecular weight of RefChem:1100823?
The molecular weight of RefChem:1100823 is 535.35406 g/mol.
Where can I buy RefChem:1100823?
You can request a quote for RefChem:1100823 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1100823?
Yes, CoreyChem provides custom synthesis services for RefChem:1100823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.