BAS 00653550
TL;DR: BAS 00653550 (CAS 331868-00-9) is a chemical compound with molecular formula C20H23N5 and molecular weight 333.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[3-(dimethylamino)propylamino]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: BAS 00653550, 11-((3-(dimethylamino)propyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, 11-{[3-(dimethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C20H23N5 |
|---|---|
| Molecular Weight | 333.20 g/mol |
| LogP | 3.21148 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.19534 |
| Heavy Atoms | 25 |
| Complexity | 977.3099 |
Chemical Identifiers
| CAS Number | 331868-00-9 |
|---|---|
| SMILES | CN(C)CCCNC1=C2CCCC2=C(C3=NC4=CC=CC=C4N13)C#N |
Product Overview
BAS 00653550 (CAS 331868-00-9), with molecular formula C20H23N5 and molecular weight 333.20 g/mol. IUPAC: 16-[3-(dimethylamino)propylamino]-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 00653550
Property Insights of BAS 00653550
The XLogP value of 3.21148 indicates that BAS 00653550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.36 Ų, BAS 00653550 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00653550 has 1 hydrogen bond donor(s) and 4 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 00653550?
The CAS number of BAS 00653550 is 331868-00-9.
What is the molecular formula of BAS 00653550?
The molecular formula of BAS 00653550 is C20H23N5.
What is the molecular weight of BAS 00653550?
The molecular weight of BAS 00653550 is 333.20 g/mol.
Where can I buy BAS 00653550?
You can request a quote for BAS 00653550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00653550?
Yes, KEHONG BIO provides custom synthesis services for BAS 00653550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.