UPCMLD0ENAT5748103:001
TL;DR: UPCMLD0ENAT5748103:001 (CAS 868153-06-4) is a chemical compound with molecular formula C20H20N4 and molecular weight 316.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclopentyl-7-methyl-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: UPCMLD0ENAT5748103:001, F1727-0108, 3-cyclopentyl-7-methyl-1,3,10-triazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile, 1-cyclopentyl-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile, 1-cyclopentyl-4-methyl-11-hydrobenzimidazolo[1,2-e]2-pyrrolino[2,3-b]pyridine- 5-carbonitrile
| Molecular Formula | C20H20N4 |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 3.9727 |
| Topological Polar Surface Area | 44.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.1688 |
| Heavy Atoms | 24 |
| Complexity | 1002.0542 |
Chemical Identifiers
| CAS Number | 868153-06-4 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5CCCC5)C#N |
Product Overview
UPCMLD0ENAT5748103:001 (CAS 868153-06-4), with molecular formula C20H20N4 and molecular weight 316.17 g/mol. IUPAC: 3-cyclopentyl-7-methyl-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 UPCMLD0ENAT5748103:001
Property Insights of UPCMLD0ENAT5748103:001
The XLogP value of 3.9727 indicates that UPCMLD0ENAT5748103:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.33 Ų, UPCMLD0ENAT5748103:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5748103:001 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 UPCMLD0ENAT5748103:001?
The CAS number of UPCMLD0ENAT5748103:001 is 868153-06-4.
What is the molecular formula of UPCMLD0ENAT5748103:001?
The molecular formula of UPCMLD0ENAT5748103:001 is C20H20N4.
What is the molecular weight of UPCMLD0ENAT5748103:001?
The molecular weight of UPCMLD0ENAT5748103:001 is 316.17 g/mol.
Where can I buy UPCMLD0ENAT5748103:001?
You can request a quote for UPCMLD0ENAT5748103:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5748103:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5748103:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.