Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-
TL;DR: Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- (CAS 33022-03-6) is a chemical compound with molecular formula C12H14ClN3O2S and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-nitrosourea
Also Known As: NCI60_000250, Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-, 1-(2-Chloroethyl)-1-nitroso-3-(thiochroman-4-yl)urea, 5-18-09-00632 (Beilstein Handbook Reference), Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-
| Molecular Formula | C12H14ClN3O2S |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.04953 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 33022-03-6 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2C1NC(=O)N(CCCl)N=O |
| InChIKey | YYNJYTGDJJPAFO-UHFFFAOYSA-N |
Product Overview
Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- (CAS 33022-03-6), with molecular formula C12H14ClN3O2S and molecular weight 299.05 g/mol. IUPAC: 1-(2-chloroethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-nitrosourea.
Chemical Property Profile of Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-
Property Insights of Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-. Following Lipinski's Rule of Five, Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- 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
Frequently Asked Questions
What is the CAS number of Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-?
The CAS number of Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- is 33022-03-6.
What is the molecular formula of Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-?
The molecular formula of Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- is C12H14ClN3O2S.
What is the molecular weight of Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-?
The molecular weight of Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- is 299.05 g/mol.
Where can I buy Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-?
You can request a quote for Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.