ChemDiv3_003542
TL;DR: ChemDiv3_003542 (CAS 329707-31-5) is a chemical compound with molecular formula C17H16N4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(dimethylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: ChemDiv3_003542, IDI1_021452, BAS 00588835, BRD-K91977471-001-01-2, 11-(Dimethylamino)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C17H16N4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.13748 |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 329707-31-5 |
|---|---|
| SMILES | CN(C)C1=C2CCCC2=C(C3=NC4=CC=CC=C4N13)C#N |
| InChIKey | HOOKHJGYHQRANH-UHFFFAOYSA-N |
Product Overview
ChemDiv3_003542 (CAS 329707-31-5), with molecular formula C17H16N4 and molecular weight 276.14 g/mol. IUPAC: 16-(dimethylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
Chemical Property Profile of ChemDiv3_003542
Property Insights of ChemDiv3_003542
The XLogP value of 4.2 indicates that ChemDiv3_003542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, ChemDiv3_003542 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003542 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 ChemDiv3_003542?
The CAS number of ChemDiv3_003542 is 329707-31-5.
What is the molecular formula of ChemDiv3_003542?
The molecular formula of ChemDiv3_003542 is C17H16N4.
What is the molecular weight of ChemDiv3_003542?
The molecular weight of ChemDiv3_003542 is 276.14 g/mol.
Where can I buy ChemDiv3_003542?
You can request a quote for ChemDiv3_003542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003542?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.