ASN 03980801
TL;DR: ASN 03980801 (CAS 498550-48-4) is a chemical compound with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: ASN 03980801, 2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-({4-[(furan-2-yl)methyl]-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, (4-Furan-2-ylmethyl-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, (4-Furan-2-ylmethyl-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid
| Molecular Formula | C16H15N3O4S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 2.6751 |
| Topological Polar Surface Area | 90.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.07834 |
| Heavy Atoms | 24 |
| Complexity | 787.02765 |
Chemical Identifiers
| CAS Number | 498550-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)O |
Product Overview
ASN 03980801 (CAS 498550-48-4), with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of ASN 03980801
Property Insights of ASN 03980801
The XLogP value of 2.6751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 03980801. The TPSA of 90.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 03980801. Following Lipinski's Rule of Five, ASN 03980801 has 1 hydrogen bond donor(s) and 6 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 ASN 03980801?
The CAS number of ASN 03980801 is 498550-48-4.
What is the molecular formula of ASN 03980801?
The molecular formula of ASN 03980801 is C16H15N3O4S.
What is the molecular weight of ASN 03980801?
The molecular weight of ASN 03980801 is 345.08 g/mol.
Where can I buy ASN 03980801?
You can request a quote for ASN 03980801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 03980801?
Yes, KEHONG BIO provides custom synthesis services for ASN 03980801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.