BAS 10129043
TL;DR: BAS 10129043 (CAS 831245-60-4) is a chemical compound with molecular formula C20H17N5O2S2 and molecular weight 423.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
Also Known As: BAS 10129043, AP-853/43092963, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-N-methyl-2-(4-oxoquinazolin-3(4H)-yl)acetamide, N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-N-methyl-2-(4-oxoquinazolin-3(4H)-yl)acetamide
| Molecular Formula | C20H17N5O2S2 |
|---|---|
| Molecular Weight | 423.08 g/mol |
| LogP | 3.2033 |
| Topological Polar Surface Area | 80.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.08237 |
| Heavy Atoms | 29 |
| Complexity | 1206.2086 |
Chemical Identifiers
| CAS Number | 831245-60-4 |
|---|---|
| SMILES | CN(C1=NN=C(S1)SCC2=CC=CC=C2)C(=O)CN3C=NC4=CC=CC=C4C3=O |
Product Overview
BAS 10129043 (CAS 831245-60-4), with molecular formula C20H17N5O2S2 and molecular weight 423.08 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.
Chemical Property Profile of BAS 10129043
Property Insights of BAS 10129043
The XLogP value of 3.2033 indicates that BAS 10129043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10129043. Following Lipinski's Rule of Five, BAS 10129043 has 0 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 BAS 10129043?
The CAS number of BAS 10129043 is 831245-60-4.
What is the molecular formula of BAS 10129043?
The molecular formula of BAS 10129043 is C20H17N5O2S2.
What is the molecular weight of BAS 10129043?
The molecular weight of BAS 10129043 is 423.08 g/mol.
Where can I buy BAS 10129043?
You can request a quote for BAS 10129043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10129043?
Yes, KEHONG BIO provides custom synthesis services for BAS 10129043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.