TL;DR: Hydantoin, 5-(m-(bis(2-chloroethyl)amino)phenyl)-5-methyl- (CAS 93569-09-6) is a chemical compound with molecular formula C14H17Cl2N3O2 and molecular weight 329.0698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3-[bis(2-chloroethyl)amino]phenyl]-5-methylimidazolidine-2,4-dione
Also Known As: CB 1678, 5-(m-(Bis(2-chloroethyl)amino)phenyl)-5-methylhydantoin, 5-25-16-00018 (Beilstein Handbook Reference), 2, 5-[3-[bis(2-chloroethyl)amino]-5-methyl-, HYDANTOIN, 5-(m-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-5-METHYL-
| Molecular Formula | C14H17Cl2N3O2 |
| Molecular Weight | 329.0698 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.0698 Da |
| Heavy Atoms | 21 |
| Complexity | 402.0 |
| SMILES | CC1(C(=O)NC(=O)N1)C2=CC(=CC=C2)N(CCCl)CCCl |
| InChIKey | YGFQWHAWIKSSER-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydantoin, 5-(m-(bis(2-chloroethyl)amino)phenyl)-5-methyl-. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydantoin, 5-(m-(bis(2-chloroethyl)amino)phenyl)-5-methyl-. Following Lipinski's Rule of Five, Hydantoin, 5-(m-(bis(2-chloroethyl)amino)phenyl)-5-methyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Hydantoin, 5-(m-(bis(2-chloroethyl)amino)phenyl)-5-methyl- is 93569-09-6.
The molecular formula of Hydantoin, 5-(m-(bis(2-chloroethyl)amino)phenyl)-5-methyl- is C14H17Cl2N3O2.
The molecular weight of Hydantoin, 5-(m-(bis(2-chloroethyl)amino)phenyl)-5-methyl- is 329.0698 g/mol.
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