methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
TL;DR: methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate (CAS 31697-95-7) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
Also Known As: methyl 2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 3.4099 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 649.4332 |
Chemical Identifiers
| CAS Number | 31697-95-7 |
|---|---|
| SMILES | COC(=O)[C@H]1CC(=N[C@H]1C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate (CAS 31697-95-7), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
Property Insights of methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
The XLogP value of 3.4099 indicates that methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate?
The CAS number of methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate is 31697-95-7.
What is the molecular formula of methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate?
The molecular formula of methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate is C18H17NO2.
What is the molecular weight of methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate?
The molecular weight of methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate is 279.13 g/mol.
Where can I buy methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate?
You can request a quote for methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-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 (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2R,3S)-2,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.