![3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile structure](/static/products/1661/166113-91-3.webp)
3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile
TL;DR: 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile (CAS 166113-91-3) is a chemical compound with molecular formula C14H15N3S and molecular weight 257.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonitrile
Also Known As: ZERO/008072, 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile, 6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonitrile, 6-amino-4-thia-2-azatricyclo[7.6.0.0^{3,7}]pentadeca-1,3(7),5,8-tetraene-5-carbonitrile, 3-amino-5,6,7,8,9,10-hexahydrocycloocta[1,2-b]thiopheno[3,2-e]pyridine-2-carbo nitrile
| Molecular Formula | C14H15N3S |
|---|---|
| Molecular Weight | 257.10 g/mol |
| LogP | 3.40918 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.09866 |
| Heavy Atoms | 18 |
| Complexity | 636.507 |
Chemical Identifiers
| CAS Number | 166113-91-3 |
|---|---|
| SMILES | C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C#N)N |
Product Overview
3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile (CAS 166113-91-3), with molecular formula C14H15N3S and molecular weight 257.10 g/mol. IUPAC: 6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonitrile.
Chemical Property Profile of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile
Property Insights of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile
The XLogP value of 3.40918 indicates that 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile 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 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile?
The CAS number of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile is 166113-91-3.
What is the molecular formula of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile?
The molecular formula of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile is C14H15N3S.
What is the molecular weight of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile?
The molecular weight of 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile is 257.10 g/mol.
Where can I buy 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile?
You can request a quote for 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.