BAS 13781233
TL;DR: BAS 13781233 (CAS 878442-19-4) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-carbonyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Also Known As: BAS 13781233, 1-(furan-2-carbonyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide, [1-(2-furylcarbonyl)(4-piperidyl)]-N-{5-[(4-methoxyphenyl)methyl](1,3,4-thiadi azol-2-yl)}carboxamide, 1-(FURAN-2-CARBONYL)-N-{5-[(4-METHOXYPHENYL)METHYL]-1,3,4-THIADIAZOL-2-YL}PIPERIDINE-4-CARBOXAMIDE, 1-(Furan-2-carbonyl)-piperidine-4-carboxylic acid [5-(4-methoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-amide
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 3.2214 |
| Topological Polar Surface Area | 97.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 992.4551 |
Chemical Identifiers
| CAS Number | 878442-19-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4 |
Product Overview
BAS 13781233 (CAS 878442-19-4), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: 1-(furan-2-carbonyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
Chemical Property Profile of BAS 13781233
Property Insights of BAS 13781233
The XLogP value of 3.2214 indicates that BAS 13781233 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.56 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13781233. Following Lipinski's Rule of Five, BAS 13781233 has 1 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 13781233?
The CAS number of BAS 13781233 is 878442-19-4.
What is the molecular formula of BAS 13781233?
The molecular formula of BAS 13781233 is C21H22N4O4S.
What is the molecular weight of BAS 13781233?
The molecular weight of BAS 13781233 is 426.14 g/mol.
Where can I buy BAS 13781233?
You can request a quote for BAS 13781233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13781233?
Yes, KEHONG BIO provides custom synthesis services for BAS 13781233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.