Ro 19-4603
TL;DR: Ro 19-4603 (CAS 6346-01-6) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 8-methyl-7-oxo-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene-11-carboxylate
Also Known As: Ro 19-4603, Tocris-1995;, Ro-19-4603, tert-butyl 5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylate, PDSP1_001769
| Molecular Formula | C15H17N3O3S |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.09906 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 6346-01-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CS3)C |
| InChIKey | ZIGMMUKDYCABPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 19-4603 (CAS 6346-01-6), with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol. IUPAC: tert-butyl 8-methyl-7-oxo-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene-11-carboxylate.
Chemical Property Profile of Ro 19-4603
Property Insights of Ro 19-4603
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 19-4603. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 19-4603. Following Lipinski's Rule of Five, Ro 19-4603 has 0 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 19-4603?
The CAS number of Ro 19-4603 is 6346-01-6.
What is the molecular formula of Ro 19-4603?
The molecular formula of Ro 19-4603 is C15H17N3O3S.
What is the molecular weight of Ro 19-4603?
The molecular weight of Ro 19-4603 is 319.10 g/mol.
Where can I buy Ro 19-4603?
You can request a quote for Ro 19-4603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 19-4603?
Yes, KEHONG BIO provides custom synthesis services for Ro 19-4603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.