![3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one structure](/static/products/538/53854-80-1.png)
3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one
TL;DR: 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one (CAS 53854-80-1) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-anilinopropanoyl)-1,3-benzoxazol-2-one
Also Known As: TimTec1_006600, BAS 00281062, 3-(3-anilinopropanoyl)-1,3-benzoxazol-2-one, 3-(3-Phenylamino-propionyl)-3H-benzooxazol-2-one, 3-(3-(phenylamino)propanoyl)benzo[d]oxazol-2(3H)-one
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.7369 |
| Topological Polar Surface Area | 64.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 818.1593 |
Chemical Identifiers
| CAS Number | 53854-80-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCC(=O)N2C3=CC=CC=C3OC2=O |
Product Overview
3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one (CAS 53854-80-1), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: 3-(3-anilinopropanoyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one
Property Insights of 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one
The XLogP value of 2.7369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one. The TPSA of 64.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one has 1 hydrogen bond donor(s) and 4 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 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one is 53854-80-1.
What is the molecular formula of 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one is C16H14N2O3.
What is the molecular weight of 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one is 282.10 g/mol.
Where can I buy 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.