VU0494550-1
TL;DR: VU0494550-1 (CAS 893098-57-2) is a chemical compound with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: VU0494550-1, F1831-0131, N-methyl-2-[3-(phenylsulfanyl)propanamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide, N-methyl-2-(3-(phenylthio)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-methyl-2-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C20H24N2O2S2 |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 4.4975 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.12793 |
| Heavy Atoms | 26 |
| Complexity | 771.6184 |
Chemical Identifiers
| CAS Number | 893098-57-2 |
|---|---|
| SMILES | CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCSC3=CC=CC=C3 |
Product Overview
VU0494550-1 (CAS 893098-57-2), with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol. IUPAC: N-methyl-2-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of VU0494550-1
Property Insights of VU0494550-1
The XLogP value of 4.4975 indicates that VU0494550-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, VU0494550-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0494550-1 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 VU0494550-1?
The CAS number of VU0494550-1 is 893098-57-2.
What is the molecular formula of VU0494550-1?
The molecular formula of VU0494550-1 is C20H24N2O2S2.
What is the molecular weight of VU0494550-1?
The molecular weight of VU0494550-1 is 388.13 g/mol.
Where can I buy VU0494550-1?
You can request a quote for VU0494550-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0494550-1?
Yes, KEHONG BIO provides custom synthesis services for VU0494550-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.