![N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide structure](/static/products/906/906436-88-2.png)
N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide
TL;DR: N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide (CAS 906436-88-2) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide
Also Known As: Acetamide,N-[3-[ amino]phenyl]-, N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide, Acetamide, N-[3-[(1H-pyrrol-2-ylmethylene)amino]phenyl]-, N-[3-(pyrrol-2-ylidenemethylamino)phenyl]acetamide, ACETAMIDE,N-[3-[(1H-PYRROL-2-YLMETHYLENE)AMINO]PHENYL]-
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 906436-88-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)N=CC2=CC=CN2 |
| InChIKey | CREXIJQFMZOIIA-UHFFFAOYSA-N |
Product Overview
N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide (CAS 906436-88-2), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: N-[3-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide.
Chemical Property Profile of N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide
Property Insights of N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide. With a topological polar surface area (TPSA) of 57.3 Ų, N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide has 2 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 N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide?
The CAS number of N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide is 906436-88-2.
What is the molecular formula of N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide?
The molecular formula of N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide is C13H13N3O.
What is the molecular weight of N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide?
The molecular weight of N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide is 227.11 g/mol.
Where can I buy N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide?
You can request a quote for N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(Z)-(1H-Pyrrol-2-ylmethylene)amino]phenyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.