(3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate
TL;DR: (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate (CAS 451485-65-7) is a chemical compound with molecular formula C19H19NO7 and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-amino-4-(diacetyloxymethyl)phenoxy]benzoate
Also Known As: (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate, methyl 4-{2-amino-4-[bis(acetyloxy)methyl]phenoxy}benzenecarboxylate, methyl 4-[2-amino-4-(diacetyloxymethyl)phenoxy]benzoate, methyl 4-{2-amino-4-[bis(acetyloxy)methyl]phenoxy}benzoate, 3T-0277
| Molecular Formula | C19H19NO7 |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 2.9725 |
| Topological Polar Surface Area | 114.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.11615 |
| Heavy Atoms | 27 |
| Complexity | 829.6367 |
Chemical Identifiers
| CAS Number | 451485-65-7 |
|---|---|
| SMILES | CC(=O)OC(C1=CC(=C(C=C1)OC2=CC=C(C=C2)C(=O)OC)N)OC(=O)C |
Product Overview
(3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate (CAS 451485-65-7), with molecular formula C19H19NO7 and molecular weight 373.12 g/mol. IUPAC: methyl 4-[2-amino-4-(diacetyloxymethyl)phenoxy]benzoate.
Chemical Property Profile of (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate
Property Insights of (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate
The XLogP value of 2.9725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate. The TPSA of 114.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate. Following Lipinski's Rule of Five, (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate has 1 hydrogen bond donor(s) and 8 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 (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate?
The CAS number of (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate is 451485-65-7.
What is the molecular formula of (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate?
The molecular formula of (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate is C19H19NO7.
What is the molecular weight of (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate?
The molecular weight of (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate is 373.12 g/mol.
Where can I buy (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate?
You can request a quote for (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate?
Yes, KEHONG BIO provides custom synthesis services for (3-Amino-4-(4-(methoxycarbonyl)phenoxy)phenyl)methylene diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.