Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-
TL;DR: Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)- (CAS 27047-62-7) is a chemical compound with molecular formula C12H15ClN2OS and molecular weight 270.06 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)urea
Also Known As: 1-(2-Chloroethyl)-3-(4-thiochromanyl)urea, 1- -3- UREA, Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-, 1-(2-chloro-ethyl)-3-thiochroman-4-yl-urea, 1-(2-Chloroethyl)-3-(thiochroman-4-yl)urea
| Molecular Formula | C12H15ClN2OS |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.05936 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 27047-62-7 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2C1NC(=O)NCCCl |
| InChIKey | FPMGZVWNTSTEOW-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)- (CAS 27047-62-7), with molecular formula C12H15ClN2OS and molecular weight 270.06 g/mol. IUPAC: 1-(2-chloroethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)urea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-
Property Insights of Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)- has 2 hydrogen bond donor(s) and 2 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, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-?
The CAS number of Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)- is 27047-62-7.
What is the molecular formula of Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-?
The molecular formula of Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)- is C12H15ClN2OS.
What is the molecular weight of Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-?
The molecular weight of Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)- is 270.06 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-?
You can request a quote for Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-3-(thiochroman-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.