RefChem:387961
TL;DR: RefChem:387961 (CAS 164120-28-9) is a chemical compound with molecular formula C31H52ClN3O3 and molecular weight 549.3697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-[[(3S,7S,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]methyl]-1-nitrosourea
Also Known As: 7-alpha-(2-Chloroethyl-N-nitroso-N-carbonylaminomethyl)cholesterol, N-(2-Chloroethyl)-N'-(((3-beta,7-alpha)-3-hydroxycholest-5-en-7-yl)methyl)-N-nitrosourea, Urea, N-(2-chloroethyl)-N'-(((3-beta,7-alpha)-3-hydroxycholest-5-en-7-yl)methyl)-N-nitroso-, N-(2-Chloroethyl)-N'-[(3-hydroxycholest-5-en-7-yl)methyl]-N-nitrosocarbamimidic acid, N-(2-Chloroethyl)-N'-{[(8xi,9xi,14xi)-3beta-hydroxycholest-5-en-7alpha-yl]methyl}-N-nitrosocarbamimidic acid
Technical Specifications
| Molecular Formula | C31H52ClN3O3 |
| Molecular Weight | 549.3697 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.3697 Da |
| Heavy Atoms | 38 |
| Complexity | 880.0 |
| 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)CNC(=O)N(CCCl)N=O)C |
| InChIKey | CUJNUGZLQFCYEJ-AFXXTYPDSA-N |
Chemical Property Profile of RefChem:387961
Property Insights of RefChem:387961
The XLogP value of 8.5 indicates that RefChem:387961 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:387961. Following Lipinski's Rule of Five, RefChem:387961 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:387961?
The CAS number of RefChem:387961 is 164120-28-9.
What is the molecular formula of RefChem:387961?
The molecular formula of RefChem:387961 is C31H52ClN3O3.
What is the molecular weight of RefChem:387961?
The molecular weight of RefChem:387961 is 549.3697 g/mol.
Where can I buy RefChem:387961?
You can request a quote for RefChem:387961 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:387961?
Yes, CoreyChem provides custom synthesis services for RefChem:387961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.