VU0492130-1
TL;DR: VU0492130-1 (CAS 577997-37-6) is a chemical compound with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: VU0492130-1, F2715-0292, methyl 4-[[2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, methyl 4-(2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-(2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
| Molecular Formula | C20H21N5O5S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 2.1935 |
| Topological Polar Surface Area | 130.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.12634 |
| Heavy Atoms | 31 |
| Complexity | 1084.0647 |
Chemical Identifiers
| CAS Number | 577997-37-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC |
Product Overview
VU0492130-1 (CAS 577997-37-6), with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol. IUPAC: methyl 4-[[2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of VU0492130-1
Property Insights of VU0492130-1
The XLogP value of 2.1935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0492130-1. The TPSA of 130.59 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0492130-1. Following Lipinski's Rule of Five, VU0492130-1 has 2 hydrogen bond donor(s) and 9 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 VU0492130-1?
The CAS number of VU0492130-1 is 577997-37-6.
What is the molecular formula of VU0492130-1?
The molecular formula of VU0492130-1 is C20H21N5O5S.
What is the molecular weight of VU0492130-1?
The molecular weight of VU0492130-1 is 443.13 g/mol.
Where can I buy VU0492130-1?
You can request a quote for VU0492130-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0492130-1?
Yes, KEHONG BIO provides custom synthesis services for VU0492130-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.