BAS 00261987
TL;DR: BAS 00261987 (CAS 331656-95-2) is a chemical compound with molecular formula C15H11N5O5 and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Also Known As: BAS 00261987, 3-(5-{2-[(4-amino-1,2,5-oxadiazol-3-yl)carbonyl]carbohydrazonoyl}-2-furyl)benzoic acid, 3-[5-[(E)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid, 3-[5-[[(4-azaniumyl1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]-2-furyl]benzoate, 3-{5-[(4-Amino-furazan-3-carbonyl)-hydrazonomethyl]-furan-2-yl}-benzoic acid
| Molecular Formula | C15H11N5O5 |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 1.3739 |
| Topological Polar Surface Area | 156.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.07602 |
| Heavy Atoms | 25 |
| Complexity | 958.64014 |
Chemical Identifiers
| CAS Number | 331656-95-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=N/NC(=O)C3=NON=C3N |
Product Overview
BAS 00261987 (CAS 331656-95-2), with molecular formula C15H11N5O5 and molecular weight 341.08 g/mol. IUPAC: 3-[5-[(E)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of BAS 00261987
Property Insights of BAS 00261987
The XLogP value of 1.3739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00261987. The TPSA of 156.84 Ų indicates high polarity, suggesting BAS 00261987 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00261987 has 3 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 BAS 00261987?
The CAS number of BAS 00261987 is 331656-95-2.
What is the molecular formula of BAS 00261987?
The molecular formula of BAS 00261987 is C15H11N5O5.
What is the molecular weight of BAS 00261987?
The molecular weight of BAS 00261987 is 341.08 g/mol.
Where can I buy BAS 00261987?
You can request a quote for BAS 00261987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00261987?
Yes, KEHONG BIO provides custom synthesis services for BAS 00261987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.