VU0155098-2
TL;DR: VU0155098-2 (CAS 496023-72-4) is a chemical compound with molecular formula C22H20ClNO3S and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[2-(4-chlorophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: VU0155098-2, methyl 4-(3-{[(4-chlorophenyl)sulfanyl]acetyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, Methyl 4-[3-[2-(4-chlorophenyl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate, methyl 4-[3-[2-(4-chlorophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate
| Molecular Formula | C22H20ClNO3S |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 5.50914 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.08524 |
| Heavy Atoms | 28 |
| Complexity | 1007.51117 |
Chemical Identifiers
| CAS Number | 496023-72-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=CC=C(C=C3)Cl |
Product Overview
VU0155098-2 (CAS 496023-72-4), with molecular formula C22H20ClNO3S and molecular weight 413.09 g/mol. IUPAC: methyl 4-[3-[2-(4-chlorophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of VU0155098-2
Property Insights of VU0155098-2
The XLogP value of 5.50914 indicates that VU0155098-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, VU0155098-2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0155098-2 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0155098-2?
The CAS number of VU0155098-2 is 496023-72-4.
What is the molecular formula of VU0155098-2?
The molecular formula of VU0155098-2 is C22H20ClNO3S.
What is the molecular weight of VU0155098-2?
The molecular weight of VU0155098-2 is 413.09 g/mol.
Where can I buy VU0155098-2?
You can request a quote for VU0155098-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0155098-2?
Yes, KEHONG BIO provides custom synthesis services for VU0155098-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.