Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate
TL;DR: Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate (CAS 123784-32-7) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methylanilino)-2-(3-oxo-5-phenylfuran-2-yl)acetate
Also Known As: Methyl 2,3-dihydro-alpha-((4-methylphenyl)amino)-3-oxo-5-phenyl-2-furanacetate, 2-Furanacetic acid, 2,3-dihydro-alpha-((4-methylphenyl)amino)-3-oxo-5-phenyl-, methyl ester, methyl 2-(4-methylanilino)-2-(3-oxo-5-phenylfuran-2-yl)acetate, Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate, methyl 2-[(4-methylphenyl)amino]-2-(3-oxo-5-phenyl-2,3-dihydrofuran-2-yl)acetate
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 2.95752 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 796.2057 |
Chemical Identifiers
| CAS Number | 123784-32-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(C2C(=O)C=C(O2)C3=CC=CC=C3)C(=O)OC |
Product Overview
Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate (CAS 123784-32-7), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: methyl 2-(4-methylanilino)-2-(3-oxo-5-phenylfuran-2-yl)acetate.
Chemical Property Profile of Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate
Property Insights of Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate
The XLogP value of 2.95752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate. Following Lipinski's Rule of Five, Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate has 1 hydrogen bond donor(s) and 5 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 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate?
The CAS number of Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate is 123784-32-7.
What is the molecular formula of Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate?
The molecular formula of Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate is C20H19NO4.
What is the molecular weight of Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate?
The molecular weight of Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate is 337.13 g/mol.
Where can I buy Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate?
You can request a quote for Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,6-anhydro-2,5-dideoxy-2-(4-methylanilino)-6-phenylhex-5-en-4-ulosonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.