1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide
TL;DR: 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide (CAS 127158-81-0) is a chemical compound with molecular formula C7H13Cl3N4O2 and molecular weight 290.0104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[bis(2-chloroethyl)amino]-1-(2-chloroethyl)-1-nitrosourea
Also Known As: 1,1-Dcncs, 2-(IODOMETHYL)TETRAHYDROPYRAN, 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide, 1-methyl-4-(6-methylpyridin-2-yl)piperazine, 3-[bis(2-chloroethyl)amino]-1-(2-chloroethyl)-1-nitrosourea
Technical Specifications
| Molecular Formula | C7H13Cl3N4O2 |
| Molecular Weight | 290.0104 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.0104 Da |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
| SMILES | C(CCl)N(CCCl)NC(=O)N(CCCl)N=O |
| InChIKey | MMDWYNNMADUUBE-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide
Property Insights of 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide. Following Lipinski's Rule of Five, 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide?
The CAS number of 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide is 127158-81-0.
What is the molecular formula of 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide?
The molecular formula of 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide is C7H13Cl3N4O2.
What is the molecular weight of 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide?
The molecular weight of 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide is 290.0104 g/mol.
Where can I buy 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide?
You can request a quote for 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide?
Yes, CoreyChem provides custom synthesis services for 1,1-Di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.