methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami
TL;DR: methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami (CAS 21983-64-2) is a chemical compound with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylamino)-3H-furan-4-carboxylate
Also Known As: methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami, methyl 4-(4-chlorophenyl)-5,5-dimethyl-2-[(phenylcarbamoyl)amino]-4,5-dihydrofuran-3-carboxylate, 1-[3-Carbomethoxy-4-[p-chlorophenyl]-5,5-dimethyl-4,5-dihydro-2-furyl]-3-phenylurea, methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylamino)-3H-furan-4-carboxylate, 3-Furancarboxylicacid,4-(4-chlorophenyl)-4,5-dihydro-5,5-dimethyl-2-[[(phenylamino)carbonyl]amino]-,methyl ester
| Molecular Formula | C21H21ClN2O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.119 |
| Heavy Atoms | 28 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 21983-64-2 |
|---|---|
| SMILES | CC1(C(C(=C(O1)NC(=O)NC2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)Cl)C |
| InChIKey | WJFBDJBPSQONGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami (CAS 21983-64-2), with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol. IUPAC: methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylamino)-3H-furan-4-carboxylate.
Chemical Property Profile of methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami
Property Insights of methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami
The XLogP value of 4.4 indicates that methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami. Following Lipinski's Rule of Five, methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami has 2 hydrogen bond donor(s) and 4 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 methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami?
The CAS number of methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami is 21983-64-2.
What is the molecular formula of methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami?
The molecular formula of methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami is C21H21ClN2O4.
What is the molecular weight of methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami?
The molecular weight of methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami is 400.12 g/mol.
Where can I buy methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami?
You can request a quote for methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylami and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.