VU0618221-1
TL;DR: VU0618221-1 (CAS 452961-91-0) is a chemical compound with molecular formula C12H13N5O3S and molecular weight 307.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
Also Known As: VU0618221-1, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide, 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide
| Molecular Formula | C12H13N5O3S |
|---|---|
| Molecular Weight | 307.07 g/mol |
| LogP | 0.5241 |
| Topological Polar Surface Area | 115.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.0739 |
| Heavy Atoms | 21 |
| Complexity | 660.09247 |
Chemical Identifiers
| CAS Number | 452961-91-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NNC(=N3)N |
Product Overview
VU0618221-1 (CAS 452961-91-0), with molecular formula C12H13N5O3S and molecular weight 307.07 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide.
Chemical Property Profile of VU0618221-1
Property Insights of VU0618221-1
The XLogP value of 0.5241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0618221-1. The TPSA of 115.15 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0618221-1. Following Lipinski's Rule of Five, VU0618221-1 has 3 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 VU0618221-1?
The CAS number of VU0618221-1 is 452961-91-0.
What is the molecular formula of VU0618221-1?
The molecular formula of VU0618221-1 is C12H13N5O3S.
What is the molecular weight of VU0618221-1?
The molecular weight of VU0618221-1 is 307.07 g/mol.
Where can I buy VU0618221-1?
You can request a quote for VU0618221-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618221-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618221-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.