VU0501035-1
TL;DR: VU0501035-1 (CAS 942006-91-9) is a chemical compound with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
Also Known As: VU0501035-1, F2819-0218, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-((4-methoxyphenyl)thio)propanamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3-[(4-methoxyphenyl)sulfanyl]propanamide
| Molecular Formula | C20H22N2O2S2 |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | 5.01818 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.11227 |
| Heavy Atoms | 26 |
| Complexity | 806.45404 |
Chemical Identifiers
| CAS Number | 942006-91-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N |
Product Overview
VU0501035-1 (CAS 942006-91-9), with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide.
Chemical Property Profile of VU0501035-1
Property Insights of VU0501035-1
The XLogP value of 5.01818 indicates that VU0501035-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0501035-1. Following Lipinski's Rule of Five, VU0501035-1 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0501035-1?
The CAS number of VU0501035-1 is 942006-91-9.
What is the molecular formula of VU0501035-1?
The molecular formula of VU0501035-1 is C20H22N2O2S2.
What is the molecular weight of VU0501035-1?
The molecular weight of VU0501035-1 is 386.11 g/mol.
Where can I buy VU0501035-1?
You can request a quote for VU0501035-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0501035-1?
Yes, KEHONG BIO provides custom synthesis services for VU0501035-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.