VU0509054-1
TL;DR: VU0509054-1 (CAS 469872-04-6) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
Also Known As: VU0509054-1, AB00682172-01, (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide, F3097-2634, (2E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 4.41368 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 924.2384 |
Chemical Identifiers
| CAS Number | 469872-04-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC |
Product Overview
VU0509054-1 (CAS 469872-04-6), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of VU0509054-1
Property Insights of VU0509054-1
The XLogP value of 4.41368 indicates that VU0509054-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509054-1. Following Lipinski's Rule of Five, VU0509054-1 has 1 hydrogen bond donor(s) and 5 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 VU0509054-1?
The CAS number of VU0509054-1 is 469872-04-6.
What is the molecular formula of VU0509054-1?
The molecular formula of VU0509054-1 is C21H22N2O3S.
What is the molecular weight of VU0509054-1?
The molecular weight of VU0509054-1 is 382.14 g/mol.
Where can I buy VU0509054-1?
You can request a quote for VU0509054-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509054-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509054-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.