VU0509188-1
TL;DR: VU0509188-1 (CAS 685847-46-5) is a chemical compound with molecular formula C19H27NO3S and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-tert-butyl-2-(3-methylbut-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: VU0509188-1, F3098-7456, methyl 6-(tert-butyl)-2-(3-methylbut-2-enamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 6-TERT-BUTYL-2-(3-METHYLBUT-2-ENAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 6-tert-butyl-2-(3-methylbut-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H27NO3S |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 4.5904 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.17117 |
| Heavy Atoms | 24 |
| Complexity | 675.5194 |
Chemical Identifiers
| CAS Number | 685847-46-5 |
|---|---|
| SMILES | CC(=CC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)C |
Product Overview
VU0509188-1 (CAS 685847-46-5), with molecular formula C19H27NO3S and molecular weight 349.17 g/mol. IUPAC: methyl 6-tert-butyl-2-(3-methylbut-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of VU0509188-1
Property Insights of VU0509188-1
The XLogP value of 4.5904 indicates that VU0509188-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, VU0509188-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0509188-1 has 1 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 VU0509188-1?
The CAS number of VU0509188-1 is 685847-46-5.
What is the molecular formula of VU0509188-1?
The molecular formula of VU0509188-1 is C19H27NO3S.
What is the molecular weight of VU0509188-1?
The molecular weight of VU0509188-1 is 349.17 g/mol.
Where can I buy VU0509188-1?
You can request a quote for VU0509188-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509188-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509188-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.