3-pyridinylmethyl 2H-chromene-3-carboxylate
TL;DR: 3-pyridinylmethyl 2H-chromene-3-carboxylate (CAS 338419-79-7) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-ylmethyl 2H-chromene-3-carboxylate
Also Known As: 3-pyridinylmethyl 2H-chromene-3-carboxylate, pyridin-3-ylmethyl 2H-chromene-3-carboxylate, (pyridin-3-yl)methyl 2H-chromene-3-carboxylate, (pyridin-3-yl)methyl2H-chromene-3-carboxylate, 3-Pyridinylmethyl 2H-1-benzopyran-3-carboxylate
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.6008 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 649.7814 |
Chemical Identifiers
| CAS Number | 338419-79-7 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=CN=CC=C3 |
Product Overview
3-pyridinylmethyl 2H-chromene-3-carboxylate (CAS 338419-79-7), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: pyridin-3-ylmethyl 2H-chromene-3-carboxylate.
Chemical Property Profile of 3-pyridinylmethyl 2H-chromene-3-carboxylate
Property Insights of 3-pyridinylmethyl 2H-chromene-3-carboxylate
The XLogP value of 2.6008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-pyridinylmethyl 2H-chromene-3-carboxylate. With a topological polar surface area (TPSA) of 48.42 Ų, 3-pyridinylmethyl 2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-pyridinylmethyl 2H-chromene-3-carboxylate 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 3-pyridinylmethyl 2H-chromene-3-carboxylate?
The CAS number of 3-pyridinylmethyl 2H-chromene-3-carboxylate is 338419-79-7.
What is the molecular formula of 3-pyridinylmethyl 2H-chromene-3-carboxylate?
The molecular formula of 3-pyridinylmethyl 2H-chromene-3-carboxylate is C16H13NO3.
What is the molecular weight of 3-pyridinylmethyl 2H-chromene-3-carboxylate?
The molecular weight of 3-pyridinylmethyl 2H-chromene-3-carboxylate is 267.09 g/mol.
Where can I buy 3-pyridinylmethyl 2H-chromene-3-carboxylate?
You can request a quote for 3-pyridinylmethyl 2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-pyridinylmethyl 2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-pyridinylmethyl 2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.