![ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate structure](/static/products/6507/6507-65-9.webp)
ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
TL;DR: ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate (CAS 6507-65-9) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
Also Known As: J2.046.937D, ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate, 3-Amino-4-cyano-6,7,8,9-tetrahydro-5H-benzocycloheptene-2-carboxylic acid ethyl ester, Ethyl 10-amino-11-cyano-bicyclo[5.4.0]undeca-7,9,11-triene-9-carboxylate, ethyl 8-amino-9-cyano-1,2,3,4,5-pentahydrobenzo[a][7]annulene-7-carboxylate
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.58608 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 544.05707 |
Chemical Identifiers
| CAS Number | 6507-65-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C2CCCCCC2=C1)C#N)N |
Product Overview
ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate (CAS 6507-65-9), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate.
Chemical Property Profile of ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
Property Insights of ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
The XLogP value of 2.58608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate has 1 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 ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate?
The CAS number of ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate is 6507-65-9.
What is the molecular formula of ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate?
The molecular formula of ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate is C15H18N2O2.
What is the molecular weight of ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate?
The molecular weight of ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate is 258.14 g/mol.
Where can I buy ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate?
You can request a quote for ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-4-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.