1-m-Tolylsemicarbazide
TL;DR: 1-m-Tolylsemicarbazide (CAS 538-00-1) is a chemical compound with molecular formula C8H11N3O and molecular weight 165.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-1-(3-methylphenyl)urea
Also Known As: 1-m-Tolylsemicarbazide, 1-(m-Tolyl)semicarbazide, 1-m-tolyl semicarbazide, Carbaminsaure-m-tolylhydrazid, 1-(3-methylphenyl)hydrazinecarboxamide
| Molecular Formula | C8H11N3O |
|---|---|
| Molecular Weight | 165.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.09021 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 538-00-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N(C(=O)N)N |
| InChIKey | MASNBEXNYGPKDU-UHFFFAOYSA-N |
Product Overview
1-m-Tolylsemicarbazide (CAS 538-00-1), with molecular formula C8H11N3O and molecular weight 165.09 g/mol. IUPAC: 1-amino-1-(3-methylphenyl)urea.
Chemical Property Profile of 1-m-Tolylsemicarbazide
Property Insights of 1-m-Tolylsemicarbazide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-m-Tolylsemicarbazide. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-m-Tolylsemicarbazide. Following Lipinski's Rule of Five, 1-m-Tolylsemicarbazide 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-m-Tolylsemicarbazide?
The CAS number of 1-m-Tolylsemicarbazide is 538-00-1.
What is the molecular formula of 1-m-Tolylsemicarbazide?
The molecular formula of 1-m-Tolylsemicarbazide is C8H11N3O.
What is the molecular weight of 1-m-Tolylsemicarbazide?
The molecular weight of 1-m-Tolylsemicarbazide is 165.09 g/mol.
Where can I buy 1-m-Tolylsemicarbazide?
You can request a quote for 1-m-Tolylsemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-m-Tolylsemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-m-Tolylsemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.