AB00668990-01
TL;DR: AB00668990-01 (CAS 862808-33-1) is a chemical compound with molecular formula C21H20N4O6S and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: AB00668990-01, F0608-0025, N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-(pyrrolidine-1-sulfonyl)benzamide, N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
| Molecular Formula | C21H20N4O6S |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 2.5446 |
| Topological Polar Surface Area | 123.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.11035 |
| Heavy Atoms | 32 |
| Complexity | 1249.5492 |
Chemical Identifiers
| CAS Number | 862808-33-1 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC5=C(C=C4)OCCO5 |
Product Overview
AB00668990-01 (CAS 862808-33-1), with molecular formula C21H20N4O6S and molecular weight 456.11 g/mol. IUPAC: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of AB00668990-01
Property Insights of AB00668990-01
The XLogP value of 2.5446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00668990-01. The TPSA of 123.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668990-01. Following Lipinski's Rule of Five, AB00668990-01 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 AB00668990-01?
The CAS number of AB00668990-01 is 862808-33-1.
What is the molecular formula of AB00668990-01?
The molecular formula of AB00668990-01 is C21H20N4O6S.
What is the molecular weight of AB00668990-01?
The molecular weight of AB00668990-01 is 456.11 g/mol.
Where can I buy AB00668990-01?
You can request a quote for AB00668990-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668990-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668990-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.