TL;DR: Biguanide, 1,1-diphenyl- (CAS 221326-24-5) is a chemical compound with molecular formula C14H15N5 and molecular weight 253.13275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diaminomethylidene)-1,1-diphenylguanidine
Also Known As: 1,1-Diphenylbiguanide, N,N-diphenylbiguanide, Biguanide, 1,1-diphenyl-, alpha,alpha-Diphenylbiguanide, NIOSH/DU1822000
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H15N5 |
| Molecular Weight | 253.13275 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 91.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.13275 Da |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=N)N=C(N)N |
| InChIKey | YCSQZLPVAFDPDM-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Biguanide, 1,1-diphenyl-. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Biguanide, 1,1-diphenyl-. Following Lipinski's Rule of Five, Biguanide, 1,1-diphenyl- has 3 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 Biguanide, 1,1-diphenyl- is 221326-24-5.
The molecular formula of Biguanide, 1,1-diphenyl- is C14H15N5.
The molecular weight of Biguanide, 1,1-diphenyl- is 253.13275 g/mol.
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