Ro 17-1812
TL;DR: Ro 17-1812 (CAS 90450-01-4) is a chemical compound with molecular formula C18H16ClN3O3 and molecular weight 357.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopropylmethyl (7S)-13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate
Also Known As: Ro 17-1812, Ro-17-1812, 9H,11H-Azeto(2,1-c)imidazo(1,5-a)(1,4)benzodiazepine-1-carboxylic acid, 8-chloro-12,12a-dihydro-9-oxo-, cyclopropylmethyl ester, (S)-, Cyclopropylmethyl (7S)-13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate, (12aS)-8-Chloro-12,12a-dihydro-9-oxo-9H,11H-azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepine-1-carboxylic acid cyclopropylmethyl ester
| Molecular Formula | C18H16ClN3O3 |
|---|---|
| Molecular Weight | 357.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.088 |
| Heavy Atoms | 25 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 90450-01-4 |
|---|---|
| SMILES | C1CN2[C@@H]1C3=C(N=CN3C4=C(C2=O)C(=CC=C4)Cl)C(=O)OCC5CC5 |
| InChIKey | HFTSPQUXYIMHAN-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 17-1812 (CAS 90450-01-4), with molecular formula C18H16ClN3O3 and molecular weight 357.09 g/mol. IUPAC: cyclopropylmethyl (7S)-13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate.
Chemical Property Profile of Ro 17-1812
Property Insights of Ro 17-1812
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 17-1812. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 17-1812. Following Lipinski's Rule of Five, Ro 17-1812 has 0 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 Ro 17-1812?
The CAS number of Ro 17-1812 is 90450-01-4.
What is the molecular formula of Ro 17-1812?
The molecular formula of Ro 17-1812 is C18H16ClN3O3.
What is the molecular weight of Ro 17-1812?
The molecular weight of Ro 17-1812 is 357.09 g/mol.
Where can I buy Ro 17-1812?
You can request a quote for Ro 17-1812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 17-1812?
Yes, KEHONG BIO provides custom synthesis services for Ro 17-1812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.