5-(Phenylamino)pentyl acetate
TL;DR: 5-(Phenylamino)pentyl acetate (CAS 13698-28-7) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-anilinopentyl acetate
Also Known As: 5-anilinopentyl acetate, 5-(phenylamino)pentyl acetate, NCIOpen2_004115, 5-(N-phenylamino)-1-pentyl acetate, 5-(n-pentylsulfonyl)-1-phenyl-1H-tetrazole
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 13698-28-7 |
|---|---|
| SMILES | CC(=O)OCCCCCNC1=CC=CC=C1 |
| InChIKey | ZOLBHIGRRJZIDM-UHFFFAOYSA-N |
Product Overview
5-(Phenylamino)pentyl acetate (CAS 13698-28-7), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 5-anilinopentyl acetate.
Chemical Property Profile of 5-(Phenylamino)pentyl acetate
Property Insights of 5-(Phenylamino)pentyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Phenylamino)pentyl acetate. With a topological polar surface area (TPSA) of 38.3 Ų, 5-(Phenylamino)pentyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Phenylamino)pentyl acetate has 1 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 5-(Phenylamino)pentyl acetate?
The CAS number of 5-(Phenylamino)pentyl acetate is 13698-28-7.
What is the molecular formula of 5-(Phenylamino)pentyl acetate?
The molecular formula of 5-(Phenylamino)pentyl acetate is C13H19NO2.
What is the molecular weight of 5-(Phenylamino)pentyl acetate?
The molecular weight of 5-(Phenylamino)pentyl acetate is 221.14 g/mol.
Where can I buy 5-(Phenylamino)pentyl acetate?
You can request a quote for 5-(Phenylamino)pentyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Phenylamino)pentyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-(Phenylamino)pentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.