AB00122013-01
TL;DR: AB00122013-01 (CAS 370574-40-6) is a chemical compound with molecular formula C22H21N3O4 and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(furan-2-ylmethyl)-5-[[1-(2-methylpropyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: AB00122013-01, (5E)-1-(furan-2-ylmethyl)-5-[[1-(2-methylpropyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(furan-2-ylmethyl)-5-{[1-(2-methylpropyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-3-(furan-2-ylmethyl)-6-hydroxy-5-{[1-(2-methylpropyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione, (E)-1-(furan-2-ylmethyl)-5-((1-isobutyl-1H-indol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C22H21N3O4 |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 3.5523 |
| Topological Polar Surface Area | 84.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.1532 |
| Heavy Atoms | 29 |
| Complexity | 1122.3495 |
Chemical Identifiers
| CAS Number | 370574-40-6 |
|---|---|
| SMILES | CC(C)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CO4 |
Product Overview
AB00122013-01 (CAS 370574-40-6), with molecular formula C22H21N3O4 and molecular weight 391.15 g/mol. IUPAC: (5E)-1-(furan-2-ylmethyl)-5-[[1-(2-methylpropyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of AB00122013-01
Property Insights of AB00122013-01
The XLogP value of 3.5523 indicates that AB00122013-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122013-01. Following Lipinski's Rule of Five, AB00122013-01 has 1 hydrogen bond donor(s) and 4 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 AB00122013-01?
The CAS number of AB00122013-01 is 370574-40-6.
What is the molecular formula of AB00122013-01?
The molecular formula of AB00122013-01 is C22H21N3O4.
What is the molecular weight of AB00122013-01?
The molecular weight of AB00122013-01 is 391.15 g/mol.
Where can I buy AB00122013-01?
You can request a quote for AB00122013-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122013-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122013-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.