A2677/0114091
TL;DR: A2677/0114091 (CAS 421587-52-2) is a chemical compound with molecular formula C18H11N5O2S and molecular weight 361.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-amino-2-oxo-3'-thiophen-2-ylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Also Known As: A2677/0114091, 6'-amino-2-oxo-3'-(thiophen-2-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6'-amino-2-oxo-3'-thiophen-2-ylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6'-amino-2-oxo-3'-(thiophen-2-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6-amino-11-oxo-3-(2-thienyl)spiro[4H-pyrano[3,2-d]pyrazole-4,3'-indoline]-5-ca rbonitrile
| Molecular Formula | C18H11N5O2S |
|---|---|
| Molecular Weight | 361.06 g/mol |
| LogP | 2.46268 |
| Topological Polar Surface Area | 116.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 361.06335 |
| Heavy Atoms | 26 |
| Complexity | 1138.7955 |
Chemical Identifiers
| CAS Number | 421587-52-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3(C(=C(OC4=NNC(=C43)C5=CC=CS5)N)C#N)C(=O)N2 |
Product Overview
A2677/0114091 (CAS 421587-52-2), with molecular formula C18H11N5O2S and molecular weight 361.06 g/mol. IUPAC: 6'-amino-2-oxo-3'-thiophen-2-ylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.
Chemical Property Profile of A2677/0114091
Property Insights of A2677/0114091
The XLogP value of 2.46268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2677/0114091. The TPSA of 116.82 Ų falls within the moderate polarity range, balancing permeability and solubility for A2677/0114091. Following Lipinski's Rule of Five, A2677/0114091 has 3 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 A2677/0114091?
The CAS number of A2677/0114091 is 421587-52-2.
What is the molecular formula of A2677/0114091?
The molecular formula of A2677/0114091 is C18H11N5O2S.
What is the molecular weight of A2677/0114091?
The molecular weight of A2677/0114091 is 361.06 g/mol.
Where can I buy A2677/0114091?
You can request a quote for A2677/0114091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2677/0114091?
Yes, KEHONG BIO provides custom synthesis services for A2677/0114091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.