RefChem:387964
TL;DR: RefChem:387964 (CAS 164120-26-7) is a chemical compound with molecular formula C32H54ClN3O3 and molecular weight 563.3854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-[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]ethyl]-1-nitrosourea
Also Known As: O-Desmethyltramadol hydrochloride, 7-beta(N-(2-Chloroethyl)-N-nitroso-N-carbonylaminoethyl)cholesterol, N-(2-Chloroethyl)-N'-(2-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)ethyl)-N-nitrosourea, Urea, N-(2-chloroethyl)-N'-(2-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)ethyl)-N-nitroso-, 1-(2-chloroethyl)-3-[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]ethyl]-1-nitrosourea
Technical Specifications
| Molecular Formula | C32H54ClN3O3 |
| Molecular Weight | 563.3854 g/mol |
| XLogP | 8.9 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 563.3854 Da |
| Heavy Atoms | 39 |
| Complexity | 896.0 |
| 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)CCNC(=O)N(CCCl)N=O)C |
| InChIKey | XTCOHWUSVRKHQA-ZSVLFXOESA-N |
Chemical Property Profile of RefChem:387964
Property Insights of RefChem:387964
The XLogP value of 8.9 indicates that RefChem:387964 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:387964. Following Lipinski's Rule of Five, RefChem:387964 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:387964?
The CAS number of RefChem:387964 is 164120-26-7.
What is the molecular formula of RefChem:387964?
The molecular formula of RefChem:387964 is C32H54ClN3O3.
What is the molecular weight of RefChem:387964?
The molecular weight of RefChem:387964 is 563.3854 g/mol.
Where can I buy RefChem:387964?
You can request a quote for RefChem:387964 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:387964?
Yes, CoreyChem provides custom synthesis services for RefChem:387964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.