BAS 10768616
TL;DR: BAS 10768616 (CAS 876718-33-1) is a chemical compound with molecular formula C15H14N2O7 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methoxy-6-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]acetic acid
Also Known As: BAS 10768616, A4045/0172485, (E)-2-(2-methoxy-6-(2-(3-methyl-4-nitroisoxazol-5-yl)vinyl)phenoxy)acetic acid, {2-methoxy-6-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy}acetic acid, 2-[2-methoxy-6-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]acetic acid
| Molecular Formula | C15H14N2O7 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 2.53362 |
| Topological Polar Surface Area | 124.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.0801 |
| Heavy Atoms | 24 |
| Complexity | 795.1154 |
Chemical Identifiers
| CAS Number | 876718-33-1 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=C(C(=CC=C2)OC)OCC(=O)O |
Product Overview
BAS 10768616 (CAS 876718-33-1), with molecular formula C15H14N2O7 and molecular weight 334.08 g/mol. IUPAC: 2-[2-methoxy-6-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]acetic acid.
Chemical Property Profile of BAS 10768616
Property Insights of BAS 10768616
The XLogP value of 2.53362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10768616. The TPSA of 124.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10768616. Following Lipinski's Rule of Five, BAS 10768616 has 1 hydrogen bond donor(s) and 7 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 BAS 10768616?
The CAS number of BAS 10768616 is 876718-33-1.
What is the molecular formula of BAS 10768616?
The molecular formula of BAS 10768616 is C15H14N2O7.
What is the molecular weight of BAS 10768616?
The molecular weight of BAS 10768616 is 334.08 g/mol.
Where can I buy BAS 10768616?
You can request a quote for BAS 10768616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10768616?
Yes, KEHONG BIO provides custom synthesis services for BAS 10768616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.