![(2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone structure](/static/products/116/1164520-18-6.png)
(2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone
TL;DR: (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone (CAS 1164520-18-6) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentan-1-one
Also Known As: (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone, (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentan-1-one, (Z)-2-((benzo[d][1,3]dioxol-5-ylamino)methylene)cyclopentanone, 2-[1-(Benzo[1,3]dioxol-5-ylamino)-meth-(Z)-ylidene]-cyclopentanone
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.4641 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 493.438 |
Chemical Identifiers
| CAS Number | 1164520-18-6 |
|---|---|
| SMILES | C1C/C(=C/NC2=CC3=C(C=C2)OCO3)/C(=O)C1 |
Product Overview
(2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone (CAS 1164520-18-6), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentan-1-one.
Chemical Property Profile of (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone
Property Insights of (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone
The XLogP value of 2.4641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone. With a topological polar surface area (TPSA) of 47.56 Ų, (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone 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 (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone?
The CAS number of (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone is 1164520-18-6.
What is the molecular formula of (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone?
The molecular formula of (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone is C13H13NO3.
What is the molecular weight of (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone?
The molecular weight of (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone is 231.09 g/mol.
Where can I buy (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone?
You can request a quote for (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]cyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.