CID 122991
TL;DR: CID 122991 (CAS 109460-96-0) is a chemical compound with molecular formula C11H8BrNO2 and molecular weight 264.97385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(2-bromophenyl)-2-cyanoprop-2-enoate
Also Known As: Technetium Tc 99m tmpda, Methyl 2-cyano-3-(2-bromophenyl)acrylate, methyl 3-(2-bromophenyl)-2-cyanoprop-2-enoate, 2-Propenoic acid,3-(2-bromophenyl)-2-cyano-, methyl ester, Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester
Technical Specifications
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 264.97385 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.97385 Da |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
| SMILES | COC(=O)C(=CC1=CC=CC=C1Br)C#N |
| InChIKey | SSKFRKHFQPOMDS-UHFFFAOYSA-N |
Chemical Property Profile of CID 122991
Property Insights of CID 122991
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 122991. With a topological polar surface area (TPSA) of 50.1 Ų, CID 122991 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 122991 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of CID 122991?
The CAS number of CID 122991 is 109460-96-0.
What is the molecular formula of CID 122991?
The molecular formula of CID 122991 is C11H8BrNO2.
What is the molecular weight of CID 122991?
The molecular weight of CID 122991 is 264.97385 g/mol.
Where can I buy CID 122991?
You can request a quote for CID 122991 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CID 122991?
Yes, CoreyChem provides custom synthesis services for CID 122991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.