CID 102412
TL;DR: CID 102412 (CAS 3437-89-6) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylidenepentan-2-one
Also Known As: 3-benzylidenepentan-2-one, 2-Pentanone, 3-benzylidene-, 2-Pentanone, 3-(phenylmethylene)-, 3-ethyl-4-phenyl-but-3-en-2-one
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 3437-89-6 |
|---|---|
| SMILES | CCC(=CC1=CC=CC=C1)C(=O)C |
| InChIKey | QQKHASOJMBEMJE-UHFFFAOYSA-N |
Product Overview
CID 102412 (CAS 3437-89-6), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 3-benzylidenepentan-2-one.
Chemical Property Profile of CID 102412
Property Insights of CID 102412
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 102412. With a topological polar surface area (TPSA) of 17.1 Ų, CID 102412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 102412 has 0 hydrogen bond donor(s) and 1 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 CID 102412?
The CAS number of CID 102412 is 3437-89-6.
What is the molecular formula of CID 102412?
The molecular formula of CID 102412 is C12H14O.
What is the molecular weight of CID 102412?
The molecular weight of CID 102412 is 174.10 g/mol.
Where can I buy CID 102412?
You can request a quote for CID 102412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 102412?
Yes, KEHONG BIO provides custom synthesis services for CID 102412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.