BAS 00588828
TL;DR: BAS 00588828 (CAS 305333-79-3) is a chemical compound with molecular formula C19H15N5 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(2-methylimidazol-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: BAS 00588828, 11-(2-methyl-1H-imidazol-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, 11-(2-methyl-1H-imidazol-1-yl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, 11-(2-methylimidazolyl)-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cyclopenta[2,1- d]pyridine-4-carbonitrile, 16-(2-methyl-1H-imidazol-1-yl)-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile
| Molecular Formula | C19H15N5 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.13275 |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 305333-79-3 |
|---|---|
| SMILES | CC1=NC=CN1C2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N |
| InChIKey | GCADTYLJGLGURF-UHFFFAOYSA-N |
Product Overview
BAS 00588828 (CAS 305333-79-3), with molecular formula C19H15N5 and molecular weight 313.13 g/mol. IUPAC: 16-(2-methylimidazol-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
Chemical Property Profile of BAS 00588828
Property Insights of BAS 00588828
The XLogP value of 4.2 indicates that BAS 00588828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, BAS 00588828 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00588828 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 BAS 00588828?
The CAS number of BAS 00588828 is 305333-79-3.
What is the molecular formula of BAS 00588828?
The molecular formula of BAS 00588828 is C19H15N5.
What is the molecular weight of BAS 00588828?
The molecular weight of BAS 00588828 is 313.13 g/mol.
Where can I buy BAS 00588828?
You can request a quote for BAS 00588828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00588828?
Yes, KEHONG BIO provides custom synthesis services for BAS 00588828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.