RefChem:313534
TL;DR: RefChem:313534 (CAS 99609-48-0) is a chemical compound with molecular formula C19H16ClN5O2 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
Also Known As: 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-chloro-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-, (S)-, 8-Chloro-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepin-9-one, RefChem:313534
| Molecular Formula | C19H16ClN5O2 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 3.7438 |
| Topological Polar Surface Area | 77.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.09924 |
| Heavy Atoms | 27 |
| Complexity | 1083.713 |
Chemical Identifiers
| CAS Number | 99609-48-0 |
|---|---|
| SMILES | C1CC2C3=C(N=CN3C4=C(C(=CC=C4)Cl)C(=O)N2C1)C5=NC(=NO5)C6CC6 |
Product Overview
RefChem:313534 (CAS 99609-48-0), with molecular formula C19H16ClN5O2 and molecular weight 381.10 g/mol. IUPAC: 14-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one.
Chemical Property Profile of RefChem:313534
Property Insights of RefChem:313534
The XLogP value of 3.7438 indicates that RefChem:313534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:313534. Following Lipinski's Rule of Five, RefChem:313534 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 RefChem:313534?
The CAS number of RefChem:313534 is 99609-48-0.
What is the molecular formula of RefChem:313534?
The molecular formula of RefChem:313534 is C19H16ClN5O2.
What is the molecular weight of RefChem:313534?
The molecular weight of RefChem:313534 is 381.10 g/mol.
Where can I buy RefChem:313534?
You can request a quote for RefChem:313534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:313534?
Yes, KEHONG BIO provides custom synthesis services for RefChem:313534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.