VU0458394-1
TL;DR: VU0458394-1 (CAS 872590-24-4) is a chemical compound with molecular formula C16H15N5O3S2 and molecular weight 389.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: VU0458394-1, F1872-0904, 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C16H15N5O3S2 |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 2.55082 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.06165 |
| Heavy Atoms | 26 |
| Complexity | 939.6206 |
Chemical Identifiers
| CAS Number | 872590-24-4 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4 |
Product Overview
VU0458394-1 (CAS 872590-24-4), with molecular formula C16H15N5O3S2 and molecular weight 389.06 g/mol. IUPAC: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of VU0458394-1
Property Insights of VU0458394-1
The XLogP value of 2.55082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0458394-1. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0458394-1. Following Lipinski's Rule of Five, VU0458394-1 has 1 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 VU0458394-1?
The CAS number of VU0458394-1 is 872590-24-4.
What is the molecular formula of VU0458394-1?
The molecular formula of VU0458394-1 is C16H15N5O3S2.
What is the molecular weight of VU0458394-1?
The molecular weight of VU0458394-1 is 389.06 g/mol.
Where can I buy VU0458394-1?
You can request a quote for VU0458394-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0458394-1?
Yes, KEHONG BIO provides custom synthesis services for VU0458394-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.