RefChem:90398
TL;DR: RefChem:90398 (CAS 133368-73-7) is a chemical compound with molecular formula C16H15F2N3O3 and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoropropyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Also Known As: 3-FP-Ro-15-3890, N-(3'-Fluoropropyl)-Ro 15-3890, 3-fluoropropyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate, 3'-Fluoropropyl-8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazol(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 3-Fluoropropyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
| Molecular Formula | C16H15F2N3O3 |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.10815 |
| Heavy Atoms | 24 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 133368-73-7 |
|---|---|
| SMILES | CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)OCCCF |
| InChIKey | IDGRIDPWFKLMGA-UHFFFAOYSA-N |
Product Overview
RefChem:90398 (CAS 133368-73-7), with molecular formula C16H15F2N3O3 and molecular weight 335.11 g/mol. IUPAC: 3-fluoropropyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.
Chemical Property Profile of RefChem:90398
Property Insights of RefChem:90398
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:90398. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:90398. Following Lipinski's Rule of Five, RefChem:90398 has 0 hydrogen bond donor(s) and 6 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 RefChem:90398?
The CAS number of RefChem:90398 is 133368-73-7.
What is the molecular formula of RefChem:90398?
The molecular formula of RefChem:90398 is C16H15F2N3O3.
What is the molecular weight of RefChem:90398?
The molecular weight of RefChem:90398 is 335.11 g/mol.
Where can I buy RefChem:90398?
You can request a quote for RefChem:90398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:90398?
Yes, KEHONG BIO provides custom synthesis services for RefChem:90398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.