IDI1_022800
TL;DR: IDI1_022800 (CAS 488723-55-3) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-(furan-2-yl)ethenyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: IDI1_022800, BRD-A62589987-001-01-9, (E)-2-(2-(furan-2-yl)vinyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 2-[(E)-2-(furan-2-yl)ethenyl]-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.5238 |
| Topological Polar Surface Area | 57.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 732.9099 |
Chemical Identifiers
| CAS Number | 488723-55-3 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)/C=C/C4=CC=CO4 |
Product Overview
IDI1_022800 (CAS 488723-55-3), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: 5-[(E)-2-(furan-2-yl)ethenyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of IDI1_022800
Property Insights of IDI1_022800
The XLogP value of 2.5238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_022800. With a topological polar surface area (TPSA) of 57.51 Ų, IDI1_022800 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_022800 has 2 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_022800?
The CAS number of IDI1_022800 is 488723-55-3.
What is the molecular formula of IDI1_022800?
The molecular formula of IDI1_022800 is C16H17N3O2S.
What is the molecular weight of IDI1_022800?
The molecular weight of IDI1_022800 is 315.10 g/mol.
Where can I buy IDI1_022800?
You can request a quote for IDI1_022800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_022800?
Yes, KEHONG BIO provides custom synthesis services for IDI1_022800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.