1,1-Dimethyl-4-phenylsemicarbazide
TL;DR: 1,1-Dimethyl-4-phenylsemicarbazide (CAS 6957-72-8) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)-3-phenylurea
Also Known As: 1-(dimethylamino)-3-phenylurea, 1,1-dimethyl-4-phenylsemicarbazide, 1-dimethylamino-3-phenyl-urea, 2,2-dimethyl-n-phenylhydrazinecarboxamide, [(dimethylamino)amino]-N-benzamide
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 6957-72-8 |
|---|---|
| SMILES | CN(C)NC(=O)NC1=CC=CC=C1 |
| InChIKey | BLLVAMIYYPAARX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethyl-4-phenylsemicarbazide (CAS 6957-72-8), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: 1-(dimethylamino)-3-phenylurea.
Chemical Property Profile of 1,1-Dimethyl-4-phenylsemicarbazide
Property Insights of 1,1-Dimethyl-4-phenylsemicarbazide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-4-phenylsemicarbazide. With a topological polar surface area (TPSA) of 44.4 Ų, 1,1-Dimethyl-4-phenylsemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-4-phenylsemicarbazide 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 1,1-Dimethyl-4-phenylsemicarbazide?
The CAS number of 1,1-Dimethyl-4-phenylsemicarbazide is 6957-72-8.
What is the molecular formula of 1,1-Dimethyl-4-phenylsemicarbazide?
The molecular formula of 1,1-Dimethyl-4-phenylsemicarbazide is C9H13N3O.
What is the molecular weight of 1,1-Dimethyl-4-phenylsemicarbazide?
The molecular weight of 1,1-Dimethyl-4-phenylsemicarbazide is 179.11 g/mol.
Where can I buy 1,1-Dimethyl-4-phenylsemicarbazide?
You can request a quote for 1,1-Dimethyl-4-phenylsemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-4-phenylsemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-4-phenylsemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.