methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate
TL;DR: methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate (CAS 307330-12-7) is a chemical compound with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate
Also Known As: ChemDiv3_005014, methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate, BAS 06101435, IDI1_022924, UPCMLD0ENAT0504-6882:001
| Molecular Formula | C19H16N2O2 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1212 |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 307330-12-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2 |
| InChIKey | SJKNLGFGOFDDJI-UHFFFAOYSA-N |
Product Overview
methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate (CAS 307330-12-7), with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol. IUPAC: methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate.
Chemical Property Profile of methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate
Property Insights of methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate
The XLogP value of 4.4 indicates that methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate has 2 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 methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate?
The CAS number of methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate is 307330-12-7.
What is the molecular formula of methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate?
The molecular formula of methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate is C19H16N2O2.
What is the molecular weight of methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate?
The molecular weight of methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate is 304.12 g/mol.
Where can I buy methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate?
You can request a quote for methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2,3-dihydro-1H-perimidin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.