Ro 11-7800
TL;DR: Ro 11-7800 (CAS 624-06-6) is a chemical compound with molecular formula C15H11Cl2N5S and molecular weight 363.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-7-(2-chlorophenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-13-yl]methanamine
Also Known As: Ro 11 7800, Ro 11-7800, Ro-11-7800, 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9-methanamine, 2-chloro-4-(2-chlorophenyl)-, 9-(Aminomethyl)-2-chloro-4-(o-chlorophenyl)-6H-thieno(3,2-f)-s-triazolo-(4,3-a)(1,4)diazepine
| Molecular Formula | C15H11Cl2N5S |
|---|---|
| Molecular Weight | 363.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.01123 |
| Heavy Atoms | 23 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 624-06-6 |
|---|---|
| SMILES | C1C2=NN=C(N2C3=C(C=C(S3)Cl)C(=N1)C4=CC=CC=C4Cl)CN |
| InChIKey | RGOKQIQTQRBIDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 11-7800 (CAS 624-06-6), with molecular formula C15H11Cl2N5S and molecular weight 363.01 g/mol. IUPAC: [4-chloro-7-(2-chlorophenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-13-yl]methanamine.
Chemical Property Profile of Ro 11-7800
Property Insights of Ro 11-7800
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 11-7800. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 11-7800. Following Lipinski's Rule of Five, Ro 11-7800 has 1 hydrogen bond donor(s) and 5 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 Ro 11-7800?
The CAS number of Ro 11-7800 is 624-06-6.
What is the molecular formula of Ro 11-7800?
The molecular formula of Ro 11-7800 is C15H11Cl2N5S.
What is the molecular weight of Ro 11-7800?
The molecular weight of Ro 11-7800 is 363.01 g/mol.
Where can I buy Ro 11-7800?
You can request a quote for Ro 11-7800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 11-7800?
Yes, KEHONG BIO provides custom synthesis services for Ro 11-7800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.