![(4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile structure](/static/products/303/303045-02-5.png)
(4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
TL;DR: (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile (CAS 303045-02-5) is a chemical compound with molecular formula C19H17N5S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-5-amino-12-methyl-3-thiophen-2-yl-12-azatricyclo[7.2.1.02,7]dodeca-5,7-diene-4,4,6-tricarbonitrile
Also Known As: (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
| Molecular Formula | C19H17N5S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.12045 |
| Heavy Atoms | 25 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 303045-02-5 |
|---|---|
| SMILES | CN1C2CCC1C3[C@@H](C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC=CS4 |
| InChIKey | VCWFGDAOTFYHFQ-MJTTZUFASA-N |
Product Overview
(4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile (CAS 303045-02-5), with molecular formula C19H17N5S and molecular weight 347.12 g/mol. IUPAC: (3S)-5-amino-12-methyl-3-thiophen-2-yl-12-azatricyclo[7.2.1.02,7]dodeca-5,7-diene-4,4,6-tricarbonitrile.
Chemical Property Profile of (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Property Insights of (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile. Following Lipinski's Rule of Five, (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile 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 (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile?
The CAS number of (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile is 303045-02-5.
What is the molecular formula of (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile?
The molecular formula of (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile is C19H17N5S.
What is the molecular weight of (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile?
The molecular weight of (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile is 347.12 g/mol.
Where can I buy (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile?
You can request a quote for (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4S)-2-amino-10-methyl-4-(thiophen-2-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.