N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid
TL;DR: N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid (CAS 76266-98-3) is a chemical compound with molecular formula C10H14ClN3O2 and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-carbamoyl-1-(6-chloro-6-methylcyclohexa-1,3-dien-1-yl)-3-methylurea
Also Known As: 1,3-Dimethyl-5-(2-chlorophenyl)biuret, 1-carbamoyl-3-(2-chlorophenyl)-1,3-dimethylurea, N-(2-Chlorophenyl)-N',2-dimethylimidodicarbonic diamide, Imidodicarbonic diamide, N-(2-chlorophenyl)-N',2-dimethyl-, N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid
| Molecular Formula | C10H14ClN3O2 |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 1.5478 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.07745 |
| Heavy Atoms | 16 |
| Complexity | 374.26044 |
Chemical Identifiers
| CAS Number | 76266-98-3 |
|---|---|
| SMILES | CC1(CC=CC=C1N(C(=O)N)C(=O)NC)Cl |
Product Overview
N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid (CAS 76266-98-3), with molecular formula C10H14ClN3O2 and molecular weight 243.08 g/mol. IUPAC: 1-carbamoyl-1-(6-chloro-6-methylcyclohexa-1,3-dien-1-yl)-3-methylurea.
Chemical Property Profile of N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid
Property Insights of N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid
The XLogP value of 1.5478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid. Following Lipinski's Rule of Five, N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid 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 N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid?
The CAS number of N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid is 76266-98-3.
What is the molecular formula of N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid?
The molecular formula of N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid is C10H14ClN3O2.
What is the molecular weight of N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid?
The molecular weight of N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid is 243.08 g/mol.
Where can I buy N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid?
You can request a quote for N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(6-Chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-methyltriimidodicarbonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.