3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone
TL;DR: 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone (CAS 477333-87-2) is a chemical compound with molecular formula C16H14ClNO3 and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylamino)-1-(4-chlorophenyl)propan-1-one
Also Known As: 3-(1,3-benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone, 3-(Benzo[d][1,3]dioxol-5-ylamino)-1-(4-chlorophenyl)propan-1-one, 3-(1,3-benzodioxol-5-ylamino)-1-(4-chlorophenyl)propan-1-one, 3-(benzo[1,3]dioxol-5-ylamino)-1-(4-chlorophenyl)propan-1-one, 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(4-chlorophenyl)propan-1-one
| Molecular Formula | C16H14ClNO3 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 3.7536 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.06622 |
| Heavy Atoms | 21 |
| Complexity | 655.0717 |
Chemical Identifiers
| CAS Number | 477333-87-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NCCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone (CAS 477333-87-2), with molecular formula C16H14ClNO3 and molecular weight 303.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylamino)-1-(4-chlorophenyl)propan-1-one.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone
Property Insights of 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone
The XLogP value of 3.7536 indicates that 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone 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-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone?
The CAS number of 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone is 477333-87-2.
What is the molecular formula of 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone?
The molecular formula of 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone is C16H14ClNO3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone?
The molecular weight of 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone is 303.07 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone?
You can request a quote for 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-ylamino)-1-(4-chlorophenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.