BAS 13845894
TL;DR: BAS 13845894 (CAS 878443-48-2) is a chemical compound with molecular formula C19H17N3O5S2 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: BAS 13845894, A3919/0166734, 4-[({[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)amino]benzoic acid, 4-(2-((5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoic acid, 4-[[2-[[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid
| Molecular Formula | C19H17N3O5S2 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 3.6513 |
| Topological Polar Surface Area | 110.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.06097 |
| Heavy Atoms | 29 |
| Complexity | 998.689 |
Chemical Identifiers
| CAS Number | 878443-48-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)OC |
Product Overview
BAS 13845894 (CAS 878443-48-2), with molecular formula C19H17N3O5S2 and molecular weight 431.06 g/mol. IUPAC: 4-[[2-[[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of BAS 13845894
Property Insights of BAS 13845894
The XLogP value of 3.6513 indicates that BAS 13845894 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13845894. Following Lipinski's Rule of Five, BAS 13845894 has 2 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 BAS 13845894?
The CAS number of BAS 13845894 is 878443-48-2.
What is the molecular formula of BAS 13845894?
The molecular formula of BAS 13845894 is C19H17N3O5S2.
What is the molecular weight of BAS 13845894?
The molecular weight of BAS 13845894 is 431.06 g/mol.
Where can I buy BAS 13845894?
You can request a quote for BAS 13845894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13845894?
Yes, KEHONG BIO provides custom synthesis services for BAS 13845894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.