AH-262/08613052
TL;DR: AH-262/08613052 (CAS 304872-67-1) is a chemical compound with molecular formula C20H17N5O4 and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-nitrophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile
Also Known As: AH-262/08613052, 3-(2-(4-nitrophenyl)-2-oxoethyl)-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile, 3-(2-{4-nitrophenyl}-2-oxoethyl)-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile, 3-[2-(4-Nitro-phenyl)-2-oxo-ethyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-1,3,4b-triaza-benzo[a]azulene-10-ca rbonitrile, 3-[2-(4-nitrophenyl)-2-oxoethyl]-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile
| Molecular Formula | C20H17N5O4 |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 2.58718 |
| Topological Polar Surface Area | 123.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.12805 |
| Heavy Atoms | 29 |
| Complexity | 1230.9657 |
Chemical Identifiers
| CAS Number | 304872-67-1 |
|---|---|
| SMILES | C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N |
Product Overview
AH-262/08613052 (CAS 304872-67-1), with molecular formula C20H17N5O4 and molecular weight 391.13 g/mol. IUPAC: 4-[2-(4-nitrophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile.
Chemical Property Profile of AH-262/08613052
Property Insights of AH-262/08613052
The XLogP value of 2.58718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AH-262/08613052. The TPSA of 123.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-262/08613052. Following Lipinski's Rule of Five, AH-262/08613052 has 0 hydrogen bond donor(s) and 6 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 AH-262/08613052?
The CAS number of AH-262/08613052 is 304872-67-1.
What is the molecular formula of AH-262/08613052?
The molecular formula of AH-262/08613052 is C20H17N5O4.
What is the molecular weight of AH-262/08613052?
The molecular weight of AH-262/08613052 is 391.13 g/mol.
Where can I buy AH-262/08613052?
You can request a quote for AH-262/08613052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-262/08613052?
Yes, KEHONG BIO provides custom synthesis services for AH-262/08613052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.