A3888/0165294
TL;DR: A3888/0165294 (CAS 728883-11-2) is a chemical compound with molecular formula C24H15ClN4O3 and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-chlorophenyl)-2',5-dioxo-1'-prop-2-ynylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
Also Known As: A3888/0165294, 2-amino-1-(3-chlorophenyl)-2',5-dioxo-1'-prop-2-ynylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile, 2-amino-1-(3-chlorophenyl)-2',5-dioxo-1'-(prop-2-yn-1-yl)-1',2',5,7-tetrahydro-1H-spiro[furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile, 2-AMINO-1-(3-CHLOROPHENYL)-2',5-DIOXO-1'-PROP-2-YN-1-YL-1',2',5,7-TETRAHYDRO-1H-SPIRO[FURO[3,4-B]PYRIDINE-4,3'-INDOLE]-3-CARBONITRILE, 2-amino-1-(3-chlorophenyl)-5,11-dioxo-10-prop-2-ynylspiro[1,4,7-trihydrofurano [3,4-b]pyridine-4,3'-indoline]-3-carbonitrile
| Molecular Formula | C24H15ClN4O3 |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 2.58258 |
| Topological Polar Surface Area | 99.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.08328 |
| Heavy Atoms | 32 |
| Complexity | 1363.7847 |
Chemical Identifiers
| CAS Number | 728883-11-2 |
|---|---|
| SMILES | C#CCN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)OC4)C5=CC(=CC=C5)Cl)N)C#N |
Product Overview
A3888/0165294 (CAS 728883-11-2), with molecular formula C24H15ClN4O3 and molecular weight 442.08 g/mol. IUPAC: 2-amino-1-(3-chlorophenyl)-2',5-dioxo-1'-prop-2-ynylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile.
Chemical Property Profile of A3888/0165294
Property Insights of A3888/0165294
The XLogP value of 2.58258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3888/0165294. The TPSA of 99.66 Ų falls within the moderate polarity range, balancing permeability and solubility for A3888/0165294. Following Lipinski's Rule of Five, A3888/0165294 has 1 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 A3888/0165294?
The CAS number of A3888/0165294 is 728883-11-2.
What is the molecular formula of A3888/0165294?
The molecular formula of A3888/0165294 is C24H15ClN4O3.
What is the molecular weight of A3888/0165294?
The molecular weight of A3888/0165294 is 442.08 g/mol.
Where can I buy A3888/0165294?
You can request a quote for A3888/0165294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3888/0165294?
Yes, KEHONG BIO provides custom synthesis services for A3888/0165294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.