![1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one structure](/static/products/3292/329267-39-2.webp)
1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one
TL;DR: 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one (CAS 329267-39-2) is a chemical compound with molecular formula C16H12N4O and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2-one
Also Known As: AF-399/13805002, 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one, 1-[(2-pyrimidinylamino)methyl]benzo[cd]indol-2(1H)-one
| Molecular Formula | C16H12N4O |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 2.6596 |
| Topological Polar Surface Area | 58.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.1011 |
| Heavy Atoms | 21 |
| Complexity | 826.8095 |
Chemical Identifiers
| CAS Number | 329267-39-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)CNC4=NC=CC=N4 |
Product Overview
1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one (CAS 329267-39-2), with molecular formula C16H12N4O and molecular weight 276.10 g/mol. IUPAC: 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2-one.
Chemical Property Profile of 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one
Property Insights of 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one
The XLogP value of 2.6596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one. With a topological polar surface area (TPSA) of 58.12 Ų, 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-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 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one?
The CAS number of 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one is 329267-39-2.
What is the molecular formula of 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one?
The molecular formula of 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one is C16H12N4O.
What is the molecular weight of 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one?
The molecular weight of 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one is 276.10 g/mol.
Where can I buy 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one?
You can request a quote for 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(pyrimidin-2-ylamino)methyl]benzo[cd]indol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.