BAS 09858897
TL;DR: BAS 09858897 (CAS 842972-84-3) is a chemical compound with molecular formula C16H18N4O4S2 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
Also Known As: BAS 09858897, F1838-2658, N-[5-({[(2,5-DIMETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE, N-(5-((2-((2,5-dimethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide, N-[5-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
| Molecular Formula | C16H18N4O4S2 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.6346 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.07693 |
| Heavy Atoms | 26 |
| Complexity | 807.2975 |
Chemical Identifiers
| CAS Number | 842972-84-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(S2)NC(=O)C3CC3 |
Product Overview
BAS 09858897 (CAS 842972-84-3), with molecular formula C16H18N4O4S2 and molecular weight 394.08 g/mol. IUPAC: N-[5-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
Chemical Property Profile of BAS 09858897
Property Insights of BAS 09858897
The XLogP value of 2.6346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09858897. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09858897. Following Lipinski's Rule of Five, BAS 09858897 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 09858897?
The CAS number of BAS 09858897 is 842972-84-3.
What is the molecular formula of BAS 09858897?
The molecular formula of BAS 09858897 is C16H18N4O4S2.
What is the molecular weight of BAS 09858897?
The molecular weight of BAS 09858897 is 394.08 g/mol.
Where can I buy BAS 09858897?
You can request a quote for BAS 09858897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09858897?
Yes, KEHONG BIO provides custom synthesis services for BAS 09858897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.