TL;DR: Urea, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphth-1-yl)- (CAS 102434-12-8) is a chemical compound with molecular formula C15H20Cl2N2O and molecular weight 314.09528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Also Known As: 1,1-Bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthyl)urea, Urea, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphth-1-yl)-, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea, 3,3-BIS(2-CHLOROETHYL)-1-(5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)UREA, N,N-Bis(2-chloroethyl)-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
| Molecular Formula | C15H20Cl2N2O |
| Molecular Weight | 314.09528 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.09528 Da |
| Heavy Atoms | 20 |
| Complexity | 308.0 |
| SMILES | C1CCC2=C(C1)C=CC=C2NC(=O)N(CCCl)CCCl |
| InChIKey | QMBHQQVGEMWMEF-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Urea, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphth-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Urea, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphth-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphth-1-yl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphth-1-yl)- is 102434-12-8.
The molecular formula of Urea, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphth-1-yl)- is C15H20Cl2N2O.
The molecular weight of Urea, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphth-1-yl)- is 314.09528 g/mol.
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