UPCMLD0ENAT5748133:001
TL;DR: UPCMLD0ENAT5748133:001 (CAS 442567-32-0) is a chemical compound with molecular formula C15H11N3O and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-oxo-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15)-pentaene-10-carbonitrile
Also Known As: UPCMLD0ENAT5748133:001, BAS 00312782, 11-oxo-2,3,5,11-tetrahydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, AE-641/00411035, BRD-K52268692-001-01-6
| Molecular Formula | C15H11N3O |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.09021 |
| Heavy Atoms | 19 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 442567-32-0 |
|---|---|
| SMILES | C1CC2=C(C1)C(=O)N3C4=CC=CC=C4NC3=C2C#N |
| InChIKey | CEWQDXWTGUGDPR-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5748133:001 (CAS 442567-32-0), with molecular formula C15H11N3O and molecular weight 249.09 g/mol. IUPAC: 16-oxo-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15)-pentaene-10-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5748133:001
Property Insights of UPCMLD0ENAT5748133:001
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5748133:001. With a topological polar surface area (TPSA) of 56.1 Ų, UPCMLD0ENAT5748133:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5748133:001 has 1 hydrogen bond donor(s) and 3 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 UPCMLD0ENAT5748133:001?
The CAS number of UPCMLD0ENAT5748133:001 is 442567-32-0.
What is the molecular formula of UPCMLD0ENAT5748133:001?
The molecular formula of UPCMLD0ENAT5748133:001 is C15H11N3O.
What is the molecular weight of UPCMLD0ENAT5748133:001?
The molecular weight of UPCMLD0ENAT5748133:001 is 249.09 g/mol.
Where can I buy UPCMLD0ENAT5748133:001?
You can request a quote for UPCMLD0ENAT5748133:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5748133:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5748133:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.