![(1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile structure](/static/products/877/87708-01-8.png)
(1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile
TL;DR: (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile (CAS 87708-01-8) 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.
(1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile
Also Known As: (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile, (2S,3R,10R,10aS)-10,10a-Dimethyl-1,2,3,4,10,10a-hexahydro-2,10-epithiopyrimido[1,2-a]indole-3-carbonitrile
| Molecular Formula | C14H15N3S |
|---|---|
| Molecular Weight | 257.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.09866 |
| Heavy Atoms | 18 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 87708-01-8 |
|---|---|
| SMILES | C[C@@]12C3=CC=CC=C3N4[C@@]1(N[C@@H](S2)[C@H](C4)C#N)C |
| InChIKey | PAHSSJMZJLVBQC-WTDIUWLJSA-N |
Product Overview
(1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile (CAS 87708-01-8), with molecular formula C14H15N3S and molecular weight 257.10 g/mol. IUPAC: (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile.
Chemical Property Profile of (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile
Property Insights of (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile. Following Lipinski's Rule of Five, (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-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 (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile?
The CAS number of (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile is 87708-01-8.
What is the molecular formula of (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile?
The molecular formula of (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile is C14H15N3S.
What is the molecular weight of (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile?
The molecular weight of (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile is 257.10 g/mol.
Where can I buy (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile?
You can request a quote for (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.