N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid
TL;DR: N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid (CAS 13945-80-7) is a chemical compound with molecular formula C30H52ClN3O2 and molecular weight 521.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea
Also Known As: KST-1B0399, 1-(2-chloroethyl)-3-[(3, A,5, A)-cholestan-3-yl]-1-nitrosourea, N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid
| Molecular Formula | C30H52ClN3O2 |
|---|---|
| Molecular Weight | 521.37 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.3748 |
| Heavy Atoms | 36 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 13945-80-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NC(=O)N(CCCl)N=O)C)C |
| InChIKey | LPIZWJIXIPCEMM-MTWWYAHWSA-N |
Product Overview
N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid (CAS 13945-80-7), with molecular formula C30H52ClN3O2 and molecular weight 521.37 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea.
Chemical Property Profile of N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid
Property Insights of N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid
The XLogP value of 10.2 indicates that N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid?
The CAS number of N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid is 13945-80-7.
What is the molecular formula of N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid?
The molecular formula of N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid is C30H52ClN3O2.
What is the molecular weight of N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid?
The molecular weight of N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid is 521.37 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid?
You can request a quote for N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N'-cholestan-3-yl-N-nitrosocarbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.