RefChem:511335
TL;DR: RefChem:511335 (CAS 728907-98-0) is a chemical compound with molecular formula C20H19N3O7S and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-(2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoic acid, 4-[[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoic Acid, 4-{2-[5-(3,4,5-Trimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetylamino}-benzoic acid, 4-(2-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)sulfanyl)acetamido)benzoic acid, 4-(2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoicacid
| Molecular Formula | C20H19N3O7S |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 3.1914 |
| Topological Polar Surface Area | 133.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.09436 |
| Heavy Atoms | 31 |
| Complexity | 1057.6276 |
Chemical Identifiers
| CAS Number | 728907-98-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
RefChem:511335 (CAS 728907-98-0), with molecular formula C20H19N3O7S and molecular weight 445.09 g/mol. IUPAC: 4-[[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of RefChem:511335
Property Insights of RefChem:511335
The XLogP value of 3.1914 indicates that RefChem:511335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:511335. Following Lipinski's Rule of Five, RefChem:511335 has 2 hydrogen bond donor(s) and 9 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 RefChem:511335?
The CAS number of RefChem:511335 is 728907-98-0.
What is the molecular formula of RefChem:511335?
The molecular formula of RefChem:511335 is C20H19N3O7S.
What is the molecular weight of RefChem:511335?
The molecular weight of RefChem:511335 is 445.09 g/mol.
Where can I buy RefChem:511335?
You can request a quote for RefChem:511335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:511335?
Yes, KEHONG BIO provides custom synthesis services for RefChem:511335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.