VU0177434-4
TL;DR: VU0177434-4 (CAS 690645-27-3) is a chemical compound with molecular formula C13H19N5O2S and molecular weight 309.13 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]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: VU0177434-4, AS-871/42052758, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
| Molecular Formula | C13H19N5O2S |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 1.42664 |
| Topological Polar Surface Area | 98.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.12595 |
| Heavy Atoms | 21 |
| Complexity | 634.5403 |
Chemical Identifiers
| CAS Number | 690645-27-3 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NNC(=N2)N |
Product Overview
VU0177434-4 (CAS 690645-27-3), with molecular formula C13H19N5O2S and molecular weight 309.13 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of VU0177434-4
Property Insights of VU0177434-4
The XLogP value of 1.42664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0177434-4. The TPSA of 98.82 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0177434-4. Following Lipinski's Rule of Five, VU0177434-4 has 2 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 VU0177434-4?
The CAS number of VU0177434-4 is 690645-27-3.
What is the molecular formula of VU0177434-4?
The molecular formula of VU0177434-4 is C13H19N5O2S.
What is the molecular weight of VU0177434-4?
The molecular weight of VU0177434-4 is 309.13 g/mol.
Where can I buy VU0177434-4?
You can request a quote for VU0177434-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0177434-4?
Yes, KEHONG BIO provides custom synthesis services for VU0177434-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.