![2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid structure](/static/products/4391/439112-16-0.webp)
2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid
TL;DR: 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid (CAS 439112-16-0) is a chemical compound with molecular formula C15H13NO4S and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(thiophene-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
Also Known As: 8R-0395, 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid, 2-[4-(thiophene-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid, 2-[4-(thiophene-3-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid, [4-(thiophene-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
| Molecular Formula | C15H13NO4S |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 2.6306 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.05652 |
| Heavy Atoms | 21 |
| Complexity | 668.07294 |
Chemical Identifiers
| CAS Number | 439112-16-0 |
|---|---|
| SMILES | C1C(N(C2=CC=CC=C2O1)C(=O)C3=CSC=C3)CC(=O)O |
Product Overview
2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid (CAS 439112-16-0), with molecular formula C15H13NO4S and molecular weight 303.06 g/mol. IUPAC: 2-[4-(thiophene-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid.
Chemical Property Profile of 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid
Property Insights of 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid
The XLogP value of 2.6306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid. Following Lipinski's Rule of Five, 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid has 1 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 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
The CAS number of 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is 439112-16-0.
What is the molecular formula of 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
The molecular formula of 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is C15H13NO4S.
What is the molecular weight of 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
The molecular weight of 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid is 303.06 g/mol.
Where can I buy 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
You can request a quote for 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3-thienylcarbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.