pyrrolidine-N-carboxamide
TL;DR: pyrrolidine-N-carboxamide (CAS 4736-98-5) is a chemical compound with molecular formula C16H10F5N3OS and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-difluorophenyl)methylsulfanyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
Also Known As: pyrrolidine-N-carboxamide, Maybridge3_000011, Phosphonous acid, mesityl- (8CI), IDI1_011398, BRD-K04320696-001-01-0
| Molecular Formula | C16H10F5N3OS |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 5.02932 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.04648 |
| Heavy Atoms | 26 |
| Complexity | 921.62494 |
Chemical Identifiers
| CAS Number | 4736-98-5 |
|---|---|
| SMILES | CC1=C(C=CC(=N1)C(F)(F)F)C2=NN=C(O2)SCC3=CC(=CC(=C3)F)F |
Product Overview
pyrrolidine-N-carboxamide (CAS 4736-98-5), with molecular formula C16H10F5N3OS and molecular weight 387.05 g/mol. IUPAC: 2-[(3,5-difluorophenyl)methylsulfanyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.
Chemical Property Profile of pyrrolidine-N-carboxamide
Property Insights of pyrrolidine-N-carboxamide
The XLogP value of 5.02932 indicates that pyrrolidine-N-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.81 Ų, pyrrolidine-N-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pyrrolidine-N-carboxamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pyrrolidine-N-carboxamide?
The CAS number of pyrrolidine-N-carboxamide is 4736-98-5.
What is the molecular formula of pyrrolidine-N-carboxamide?
The molecular formula of pyrrolidine-N-carboxamide is C16H10F5N3OS.
What is the molecular weight of pyrrolidine-N-carboxamide?
The molecular weight of pyrrolidine-N-carboxamide is 387.05 g/mol.
Where can I buy pyrrolidine-N-carboxamide?
You can request a quote for pyrrolidine-N-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrrolidine-N-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for pyrrolidine-N-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.