NIOSH/AB8000000
TL;DR: NIOSH/AB8000000 (CAS 27144-18-9) is a chemical compound with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]phenyl]acetamide
Also Known As: NIOSH/AB8000000, N-(4-((1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)acetamide, n-{4-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]phenyl}acetamide, N-[4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]phenyl]acetamide, Acetamide, N-(4-((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)-
| Molecular Formula | C16H17N5O3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.13315 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 27144-18-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
| InChIKey | WHVAEZWIXBMMGG-UHFFFAOYSA-N |
Product Overview
NIOSH/AB8000000 (CAS 27144-18-9), with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol. IUPAC: N-[4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]phenyl]acetamide.
Chemical Property Profile of NIOSH/AB8000000
Property Insights of NIOSH/AB8000000
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NIOSH/AB8000000. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NIOSH/AB8000000. Following Lipinski's Rule of Five, NIOSH/AB8000000 has 2 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 NIOSH/AB8000000?
The CAS number of NIOSH/AB8000000 is 27144-18-9.
What is the molecular formula of NIOSH/AB8000000?
The molecular formula of NIOSH/AB8000000 is C16H17N5O3.
What is the molecular weight of NIOSH/AB8000000?
The molecular weight of NIOSH/AB8000000 is 327.13 g/mol.
Where can I buy NIOSH/AB8000000?
You can request a quote for NIOSH/AB8000000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NIOSH/AB8000000?
Yes, KEHONG BIO provides custom synthesis services for NIOSH/AB8000000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.