UPCMLD0ENAT5747534:001
TL;DR: UPCMLD0ENAT5747534:001 (CAS 879915-22-7) is a chemical compound with molecular formula C20H22N4 and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-pentyl-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile
Also Known As: UPCMLD0ENAT5747534:001, F1727-0116, 7-methyl-3-pentyl-1,3,10-triazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile, 4-methyl-1-pentyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile, 7-methyl-10-pentyl-11-hydrobenzimidazolo[1,2-e]2-pyrrolino[2,3-b]pyridine-6-ca rbonitrile
| Molecular Formula | C20H22N4 |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 4.2203 |
| Topological Polar Surface Area | 44.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.18445 |
| Heavy Atoms | 24 |
| Complexity | 961.31946 |
Chemical Identifiers
| CAS Number | 879915-22-7 |
|---|---|
| SMILES | CCCCCN1CCC2=C1N3C4=CC=CC=C4N=C3C(=C2C)C#N |
Product Overview
UPCMLD0ENAT5747534:001 (CAS 879915-22-7), with molecular formula C20H22N4 and molecular weight 318.18 g/mol. IUPAC: 7-methyl-3-pentyl-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747534:001
Property Insights of UPCMLD0ENAT5747534:001
The XLogP value of 4.2203 indicates that UPCMLD0ENAT5747534:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.33 Ų, UPCMLD0ENAT5747534:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747534:001 has 0 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 UPCMLD0ENAT5747534:001?
The CAS number of UPCMLD0ENAT5747534:001 is 879915-22-7.
What is the molecular formula of UPCMLD0ENAT5747534:001?
The molecular formula of UPCMLD0ENAT5747534:001 is C20H22N4.
What is the molecular weight of UPCMLD0ENAT5747534:001?
The molecular weight of UPCMLD0ENAT5747534:001 is 318.18 g/mol.
Where can I buy UPCMLD0ENAT5747534:001?
You can request a quote for UPCMLD0ENAT5747534:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747534:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747534:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.