VU0510835-1
TL;DR: VU0510835-1 (CAS 1024197-23-6) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethenyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate
Also Known As: VU0510835-1, F3161-0022, ethyl 2-methyl-4-thioxo-10-vinyl-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate, ethyl 6-ethenyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-triene-13-carboxylate, ethyl 6-ethenyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.1363 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 660.791 |
Chemical Identifiers
| CAS Number | 1024197-23-6 |
|---|---|
| SMILES | CCOC(=O)C1C2C3=CC=CC(=C3OC1(NC(=S)N2)C)C=C |
Product Overview
VU0510835-1 (CAS 1024197-23-6), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: ethyl 6-ethenyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate.
Chemical Property Profile of VU0510835-1
Property Insights of VU0510835-1
The XLogP value of 2.1363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0510835-1. With a topological polar surface area (TPSA) of 59.59 Ų, VU0510835-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0510835-1 has 2 hydrogen bond donor(s) and 4 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 VU0510835-1?
The CAS number of VU0510835-1 is 1024197-23-6.
What is the molecular formula of VU0510835-1?
The molecular formula of VU0510835-1 is C16H18N2O3S.
What is the molecular weight of VU0510835-1?
The molecular weight of VU0510835-1 is 318.10 g/mol.
Where can I buy VU0510835-1?
You can request a quote for VU0510835-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0510835-1?
Yes, KEHONG BIO provides custom synthesis services for VU0510835-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.