AB00101752-01
TL;DR: AB00101752-01 (CAS 347397-62-0) is a chemical compound with molecular formula C14H13IN2O5 and molecular weight 415.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
Also Known As: AB00101752-01, (5E)-5-(3-iodo-4,5-dimethoxybenzylidene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C14H13IN2O5 |
|---|---|
| Molecular Weight | 415.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.9869 |
| Heavy Atoms | 22 |
| Complexity | 698.71875 |
Chemical Identifiers
| CAS Number | 347397-62-0 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC(=C(C(=C2)I)OC)OC)/C(=O)NC1=O |
Product Overview
AB00101752-01 (CAS 347397-62-0), with molecular formula C14H13IN2O5 and molecular weight 415.99 g/mol. IUPAC: (5E)-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of AB00101752-01
Property Insights of AB00101752-01
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00101752-01. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00101752-01. Following Lipinski's Rule of Five, AB00101752-01 has 1 hydrogen bond donor(s) and 5 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 AB00101752-01?
The CAS number of AB00101752-01 is 347397-62-0.
What is the molecular formula of AB00101752-01?
The molecular formula of AB00101752-01 is C14H13IN2O5.
What is the molecular weight of AB00101752-01?
The molecular weight of AB00101752-01 is 415.99 g/mol.
Where can I buy AB00101752-01?
You can request a quote for AB00101752-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00101752-01?
Yes, KEHONG BIO provides custom synthesis services for AB00101752-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.