![3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene structure](/static/products/4620/462066-13-3.webp)
3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
TL;DR: 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene (CAS 462066-13-3) is a chemical compound with molecular formula C13H13ClN2S and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene, ASN 04887618, 4-chloro-2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene, 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6-tetraene
| Molecular Formula | C13H13ClN2S |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 4.1009 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.0488 |
| Heavy Atoms | 17 |
| Complexity | 600.9755 |
Chemical Identifiers
| CAS Number | 462066-13-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N=C3Cl)C4CC4 |
Product Overview
3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene (CAS 462066-13-3), with molecular formula C13H13ClN2S and molecular weight 264.05 g/mol. IUPAC: 4-chloro-2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
Property Insights of 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
The XLogP value of 4.1009 indicates that 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene has 0 hydrogen bond donor(s) and 3 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-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
The CAS number of 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is 462066-13-3.
What is the molecular formula of 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
The molecular formula of 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is C13H13ClN2S.
What is the molecular weight of 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
The molecular weight of 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is 264.05 g/mol.
Where can I buy 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
You can request a quote for 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.