IDI1_020748
TL;DR: IDI1_020748 (CAS 5810-53-7) is a chemical compound with molecular formula C16H12N2O3S2 and molecular weight 344.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-methoxyphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-diazinane-4,6-dione
Also Known As: IDI1_020748, A2371/0100251, (5E)-1-(3-methoxyphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-diazinane-4,6-dione, (5E)-1-(3-METHOXYPHENYL)-2-SULFANYLIDENE-5-[(THIOPHEN-3-YL)METHYLIDENE]-1,3-DIAZINANE-4,6-DIONE, 1-(3-methoxyphenyl)-5-(3-thienylmethylene)-2-thioxo-1,3-dihydropyrimidine-4,6- dione
| Molecular Formula | C16H12N2O3S2 |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | 2.588 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.02893 |
| Heavy Atoms | 23 |
| Complexity | 812.4927 |
Chemical Identifiers
| CAS Number | 5810-53-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)/C(=C/C3=CSC=C3)/C(=O)NC2=S |
Product Overview
IDI1_020748 (CAS 5810-53-7), with molecular formula C16H12N2O3S2 and molecular weight 344.03 g/mol. IUPAC: (5E)-1-(3-methoxyphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-diazinane-4,6-dione.
Chemical Property Profile of IDI1_020748
Property Insights of IDI1_020748
The XLogP value of 2.588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_020748. With a topological polar surface area (TPSA) of 58.64 Ų, IDI1_020748 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_020748 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 IDI1_020748?
The CAS number of IDI1_020748 is 5810-53-7.
What is the molecular formula of IDI1_020748?
The molecular formula of IDI1_020748 is C16H12N2O3S2.
What is the molecular weight of IDI1_020748?
The molecular weight of IDI1_020748 is 344.03 g/mol.
Where can I buy IDI1_020748?
You can request a quote for IDI1_020748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_020748?
Yes, KEHONG BIO provides custom synthesis services for IDI1_020748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.