methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate (CAS 13901-74-1) is a chemical compound with molecular formula C18H15NO2 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate, 1H-PYRROLE-3-CARBOXYLICACID, 2,5-DIPHENYL-, METHYL ESTER, RefChem:353688
| Molecular Formula | C18H15NO2 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.1103 |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 13901-74-1 |
|---|---|
| SMILES | COC(=O)C1=C(NC(=C1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | UPZJGSZBWHUZCK-UHFFFAOYSA-N |
Product Overview
methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate (CAS 13901-74-1), with molecular formula C18H15NO2 and molecular weight 277.11 g/mol. IUPAC: methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate
The XLogP value of 3.9 indicates that methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 2 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 2,5-diphenyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate is 13901-74-1.
What is the molecular formula of methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate is C18H15NO2.
What is the molecular weight of methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate is 277.11 g/mol.
Where can I buy methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.