L-796449
TL;DR: L-796449 (CAS 194608-80-5) is a chemical compound with molecular formula C28H27ClO4S and molecular weight 494.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]acetic acid
Also Known As: L-796449, Benzeneacetic acid, 3-chloro-4-((3-((3-phenyl-7-propyl-6-benzofuranyl)oxy)propyl)thio)-, J2.020.101K, L 796449, L-796,449
| Molecular Formula | C28H27ClO4S |
|---|---|
| Molecular Weight | 494.13 g/mol |
| LogP | 7.894 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 494.13187 |
| Heavy Atoms | 34 |
| Complexity | 1266.3877 |
Chemical Identifiers
| CAS Number | 194608-80-5 |
|---|---|
| SMILES | CCCC1=C(C=CC2=C1OC=C2C3=CC=CC=C3)OCCCSC4=C(C=C(C=C4)CC(=O)O)Cl |
Product Overview
L-796449 (CAS 194608-80-5), with molecular formula C28H27ClO4S and molecular weight 494.13 g/mol. IUPAC: 2-[3-chloro-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]acetic acid.
Chemical Property Profile of L-796449
Property Insights of L-796449
The XLogP value of 7.894 indicates that L-796449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.67 Ų, L-796449 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, L-796449 has 1 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 L-796449?
The CAS number of L-796449 is 194608-80-5.
What is the molecular formula of L-796449?
The molecular formula of L-796449 is C28H27ClO4S.
What is the molecular weight of L-796449?
The molecular weight of L-796449 is 494.13 g/mol.
Where can I buy L-796449?
You can request a quote for L-796449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-796449?
Yes, KEHONG BIO provides custom synthesis services for L-796449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.