Ires-C11
TL;DR: Ires-C11 (CAS 342416-30-2) is a chemical compound with molecular formula C13H11Cl2NO4 and molecular weight 315.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-1-[(2,4-dimethoxyphenyl)methyl]pyrrole-2,5-dione
Also Known As: 3,4-dichloro-1-(2,4-dimethoxybenzyl)-1H-pyrrole-2,5-dione, J1.485.050C, N-(2,4-Dimethoxybenzyl)-2,3-dichloromaleimide, 3,4-dichloro-1-[(2,4-dimethoxyphenyl)methyl]pyrrole-2,5-dione, 3,4-dichloro-1-(2,4-dimethoxy-benzyl)-pyrrole-2,5-dione
| Molecular Formula | C13H11Cl2NO4 |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.0065 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 342416-30-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)Cl)OC |
| InChIKey | SYBFPEVCOHEALP-UHFFFAOYSA-N |
Product Overview
Ires-C11 (CAS 342416-30-2), with molecular formula C13H11Cl2NO4 and molecular weight 315.01 g/mol. IUPAC: 3,4-dichloro-1-[(2,4-dimethoxyphenyl)methyl]pyrrole-2,5-dione.
Chemical Property Profile of Ires-C11
Property Insights of Ires-C11
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ires-C11. With a topological polar surface area (TPSA) of 55.8 Ų, Ires-C11 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ires-C11 has 0 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 Ires-C11?
The CAS number of Ires-C11 is 342416-30-2.
What is the molecular formula of Ires-C11?
The molecular formula of Ires-C11 is C13H11Cl2NO4.
What is the molecular weight of Ires-C11?
The molecular weight of Ires-C11 is 315.01 g/mol.
Where can I buy Ires-C11?
You can request a quote for Ires-C11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ires-C11?
Yes, KEHONG BIO provides custom synthesis services for Ires-C11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.