A3350/0142175
TL;DR: A3350/0142175 (CAS 625376-12-7) is a chemical compound with molecular formula C17H11N3O8 and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-(hydroxymethyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile
Also Known As: A3350/0142175, 2-amino-6-(hydroxymethyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile, 2-amino-6-(hydroxymethyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile, 2-AMINO-6-(HYDROXYMETHYL)-4-(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)-8-OXO-4H,8H-PYRANO[3,2-B]PYRAN-3-CARBONITRILE, 2-amino-6-(hydroxymethyl)-4-(6-nitrobenzo[d][1,3]dioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
| Molecular Formula | C17H11N3O8 |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 0.98718 |
| Topological Polar Surface Area | 171.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.05463 |
| Heavy Atoms | 28 |
| Complexity | 1144.3123 |
Chemical Identifiers
| CAS Number | 625376-12-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C3C(=C(OC4=C3OC(=CC4=O)CO)N)C#N)[N+](=O)[O-] |
Product Overview
A3350/0142175 (CAS 625376-12-7), with molecular formula C17H11N3O8 and molecular weight 385.05 g/mol. IUPAC: 2-amino-6-(hydroxymethyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile.
Chemical Property Profile of A3350/0142175
Property Insights of A3350/0142175
The XLogP value of 0.98718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3350/0142175. The TPSA of 171.08 Ų indicates high polarity, suggesting A3350/0142175 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3350/0142175 has 2 hydrogen bond donor(s) and 10 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 A3350/0142175?
The CAS number of A3350/0142175 is 625376-12-7.
What is the molecular formula of A3350/0142175?
The molecular formula of A3350/0142175 is C17H11N3O8.
What is the molecular weight of A3350/0142175?
The molecular weight of A3350/0142175 is 385.05 g/mol.
Where can I buy A3350/0142175?
You can request a quote for A3350/0142175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3350/0142175?
Yes, KEHONG BIO provides custom synthesis services for A3350/0142175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.