AB00736421-01
TL;DR: AB00736421-01 (CAS 848248-86-2) is a chemical compound with molecular formula C18H18N4O4S2 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
Also Known As: AB00736421-01, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide, 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-3-carboxamide
| Molecular Formula | C18H18N4O4S2 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 2.579 |
| Topological Polar Surface Area | 93.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.07693 |
| Heavy Atoms | 28 |
| Complexity | 916.7406 |
Chemical Identifiers
| CAS Number | 848248-86-2 |
|---|---|
| SMILES | C=CCSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4 |
Product Overview
AB00736421-01 (CAS 848248-86-2), with molecular formula C18H18N4O4S2 and molecular weight 418.08 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
Chemical Property Profile of AB00736421-01
Property Insights of AB00736421-01
The XLogP value of 2.579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00736421-01. The TPSA of 93.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00736421-01. Following Lipinski's Rule of Five, AB00736421-01 has 1 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 AB00736421-01?
The CAS number of AB00736421-01 is 848248-86-2.
What is the molecular formula of AB00736421-01?
The molecular formula of AB00736421-01 is C18H18N4O4S2.
What is the molecular weight of AB00736421-01?
The molecular weight of AB00736421-01 is 418.08 g/mol.
Where can I buy AB00736421-01?
You can request a quote for AB00736421-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00736421-01?
Yes, KEHONG BIO provides custom synthesis services for AB00736421-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.