VU0511868-1
TL;DR: VU0511868-1 (CAS 899998-68-6) is a chemical compound with molecular formula C18H20N2O6S2 and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
Also Known As: VU0511868-1, AB00036702-01, F3167-0144, methyl 3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl}thiophene-2-carboxylate, METHYL 3-({4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}SULFONYL)THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C18H20N2O6S2 |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 1.7699 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.0763 |
| Heavy Atoms | 28 |
| Complexity | 979.7121 |
Chemical Identifiers
| CAS Number | 899998-68-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
VU0511868-1 (CAS 899998-68-6), with molecular formula C18H20N2O6S2 and molecular weight 424.08 g/mol. IUPAC: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate.
Chemical Property Profile of VU0511868-1
Property Insights of VU0511868-1
The XLogP value of 1.7699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0511868-1. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0511868-1. Following Lipinski's Rule of Five, VU0511868-1 has 0 hydrogen bond donor(s) and 8 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 VU0511868-1?
The CAS number of VU0511868-1 is 899998-68-6.
What is the molecular formula of VU0511868-1?
The molecular formula of VU0511868-1 is C18H20N2O6S2.
What is the molecular weight of VU0511868-1?
The molecular weight of VU0511868-1 is 424.08 g/mol.
Where can I buy VU0511868-1?
You can request a quote for VU0511868-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0511868-1?
Yes, KEHONG BIO provides custom synthesis services for VU0511868-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.