![2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate structure](/static/products/193/193003-99-5.png)
2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate
TL;DR: 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate (CAS 193003-99-5) is a chemical compound with molecular formula C28H26F3N5O8S and molecular weight 649.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(3-carbamimidoylphenyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate;2,2,2-trifluoroacetic acid
Also Known As: 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate, (+/-)-2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate
| Molecular Formula | C28H26F3N5O8S |
|---|---|
| Molecular Weight | 649.15 g/mol |
| LogP | 2.98337 |
| Topological Polar Surface Area | 224.32 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 649.14545 |
| Heavy Atoms | 45 |
| Complexity | 1762.1676 |
Chemical Identifiers
| CAS Number | 193003-99-5 |
|---|---|
| SMILES | COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N.C(=O)(C(F)(F)F)O |
Product Overview
2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate (CAS 193003-99-5), with molecular formula C28H26F3N5O8S and molecular weight 649.15 g/mol. IUPAC: methyl 2-[3-(3-carbamimidoylphenyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate;2,2,2-trifluoroacetic acid.
Chemical Property Profile of 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate
Property Insights of 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate
The XLogP value of 2.98337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate. The TPSA of 224.32 Ų indicates high polarity, suggesting 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate?
The CAS number of 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate is 193003-99-5.
What is the molecular formula of 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate?
The molecular formula of 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate is C28H26F3N5O8S.
What is the molecular weight of 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate?
The molecular weight of 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate is 649.15 g/mol.
Where can I buy 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate?
You can request a quote for 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.