N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea
TL;DR: N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea (CAS 80639-79-8) is a chemical compound with molecular formula C16H20ClN3O2 and molecular weight 321.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-5-yl)-1-(2-chloroethyl)-1-nitrosourea
Also Known As: N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea, 1-(2-Chloroethyl)-3-(2,3,3a,4,5,9b-hexahydro-1H-benz(e)inden-5-yl)-1-nitrosourea, Urea, 1-(2-chloroethyl)-3-(2,3,3a,4,5,9b-hexahydro-1H-benz(e)inden-5-yl)-1-nitroso-, 3-(2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-5-yl)-1-(2-chloroethyl)-1-nitrosourea, N-(2-Chloroethyl)-N'-(2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-5-yl)-N-nitrosocarbamimidic acid
| Molecular Formula | C16H20ClN3O2 |
|---|---|
| Molecular Weight | 321.12 g/mol |
| LogP | 3.9469 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.1244 |
| Heavy Atoms | 22 |
| Complexity | 566.07684 |
Chemical Identifiers
| CAS Number | 80639-79-8 |
|---|---|
| SMILES | C1CC2CC(C3=CC=CC=C3C2C1)NC(=O)N(CCCl)N=O |
Product Overview
N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea (CAS 80639-79-8), with molecular formula C16H20ClN3O2 and molecular weight 321.12 g/mol. IUPAC: 3-(2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-5-yl)-1-(2-chloroethyl)-1-nitrosourea.
Chemical Property Profile of N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea
Property Insights of N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea
The XLogP value of 3.9469 indicates that N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea?
The CAS number of N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea is 80639-79-8.
What is the molecular formula of N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea?
The molecular formula of N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea is C16H20ClN3O2.
What is the molecular weight of N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea?
The molecular weight of N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea is 321.12 g/mol.
Where can I buy N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea?
You can request a quote for N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea 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-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N-nitroso-N'-(benzo(3,4-a)bicyclo(4.3.0)nonanyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.