VU0489453-1
TL;DR: VU0489453-1 (CAS 326179-40-2) is a chemical compound with molecular formula C21H23N3O7S and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-[3-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
Also Known As: VU0489453-1, F1686-0104, AF-399/13949031, methyl N-[4-({3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]piperidin-1-yl}sulfonyl)phenyl]carbamate, methyl (4-((3-(benzo[d][1,3]dioxol-5-ylcarbamoyl)piperidin-1-yl)sulfonyl)phenyl)carbamate
| Molecular Formula | C21H23N3O7S |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 2.633 |
| Topological Polar Surface Area | 123.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.12567 |
| Heavy Atoms | 32 |
| Complexity | 1118.7133 |
Chemical Identifiers
| CAS Number | 326179-40-2 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
VU0489453-1 (CAS 326179-40-2), with molecular formula C21H23N3O7S and molecular weight 461.13 g/mol. IUPAC: methyl N-[4-[3-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate.
Chemical Property Profile of VU0489453-1
Property Insights of VU0489453-1
The XLogP value of 2.633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0489453-1. The TPSA of 123.27 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489453-1. Following Lipinski's Rule of Five, VU0489453-1 has 2 hydrogen bond donor(s) and 7 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 VU0489453-1?
The CAS number of VU0489453-1 is 326179-40-2.
What is the molecular formula of VU0489453-1?
The molecular formula of VU0489453-1 is C21H23N3O7S.
What is the molecular weight of VU0489453-1?
The molecular weight of VU0489453-1 is 461.13 g/mol.
Where can I buy VU0489453-1?
You can request a quote for VU0489453-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489453-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489453-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.