1,3-Bis(acetylaminomethyl)benzene
TL;DR: 1,3-Bis(acetylaminomethyl)benzene (CAS 131711-99-4) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(acetamidomethyl)phenyl]methyl]acetamide
Also Known As: 1,3-Bis(acetylaminomethyl)benzene, m-Xylylenediamine, N,N'-diacetyl, N-[[3-(acetamidomethyl)phenyl]methyl]acetamide, N-[3-(Acetylaminomethyl)benzyl]acetamide, N-{3-[(acetylamino)methyl]benzyl}acetamide
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 0.9588 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 355.11008 |
Chemical Identifiers
| CAS Number | 131711-99-4 |
|---|---|
| SMILES | CC(=O)NCC1=CC(=CC=C1)CNC(=O)C |
Product Overview
1,3-Bis(acetylaminomethyl)benzene (CAS 131711-99-4), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: N-[[3-(acetamidomethyl)phenyl]methyl]acetamide.
Chemical Property Profile of 1,3-Bis(acetylaminomethyl)benzene
Property Insights of 1,3-Bis(acetylaminomethyl)benzene
The XLogP value of 0.9588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(acetylaminomethyl)benzene. With a topological polar surface area (TPSA) of 58.2 Ų, 1,3-Bis(acetylaminomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(acetylaminomethyl)benzene has 2 hydrogen bond donor(s) and 2 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 1,3-Bis(acetylaminomethyl)benzene?
The CAS number of 1,3-Bis(acetylaminomethyl)benzene is 131711-99-4.
What is the molecular formula of 1,3-Bis(acetylaminomethyl)benzene?
The molecular formula of 1,3-Bis(acetylaminomethyl)benzene is C12H16N2O2.
What is the molecular weight of 1,3-Bis(acetylaminomethyl)benzene?
The molecular weight of 1,3-Bis(acetylaminomethyl)benzene is 220.12 g/mol.
Where can I buy 1,3-Bis(acetylaminomethyl)benzene?
You can request a quote for 1,3-Bis(acetylaminomethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(acetylaminomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(acetylaminomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.