RefChem:237136
TL;DR: RefChem:237136 (CAS 112634-51-2) is a chemical compound with molecular formula C18H16ClFN2O2 and molecular weight 346.08844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]acetate
Also Known As: 7-Chloro-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzodiazepine-2-acetic acid methyl ester, 1H-1,4-Benzodiazepine-2-acetic acid, 2,3-dihydro-7-chloro-5-(2-fluorophenyl)-, methyl ester, Methyl [7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]acetate, methyl 2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]acetate, BRN 5134287
Technical Specifications
| Molecular Formula | C18H16ClFN2O2 |
| Molecular Weight | 346.08844 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.08844 Da |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
| SMILES | COC(=O)CC1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3F |
| InChIKey | VPKXYTSUPPXXKB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:237136
Property Insights of RefChem:237136
The XLogP value of 3.6 indicates that RefChem:237136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, RefChem:237136 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237136 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
What is the CAS number of RefChem:237136?
The CAS number of RefChem:237136 is 112634-51-2.
What is the molecular formula of RefChem:237136?
The molecular formula of RefChem:237136 is C18H16ClFN2O2.
What is the molecular weight of RefChem:237136?
The molecular weight of RefChem:237136 is 346.08844 g/mol.
Where can I buy RefChem:237136?
You can request a quote for RefChem:237136 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:237136?
Yes, CoreyChem provides custom synthesis services for RefChem:237136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.