Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester
TL;DR: Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester (CAS 109226-98-4) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2H-1,4-benzoxazin-3-ylamino)phenyl]propanoate
Also Known As: Methyl 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methylbenzeneacetate, Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester, methyl 2-[4-(2H-1,4-benzoxazin-3-ylamino)phenyl]propanoate, Methyl 2-{4-[(2H-1,4-benzoxazin-3-yl)amino]phenyl}propanoate, BRN 5987823
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 3.4976 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 738.1868 |
Chemical Identifiers
| CAS Number | 109226-98-4 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3OC2)C(=O)OC |
Product Overview
Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester (CAS 109226-98-4), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: methyl 2-[4-(2H-1,4-benzoxazin-3-ylamino)phenyl]propanoate.
Chemical Property Profile of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester
Property Insights of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester
The XLogP value of 3.4976 indicates that Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester 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 Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester is 109226-98-4.
What is the molecular formula of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester is C18H18N2O3.
What is the molecular weight of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester is 310.13 g/mol.
Where can I buy Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-alpha-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.