BAS 00588830
TL;DR: BAS 00588830 (CAS 305333-89-5) is a chemical compound with molecular formula C21H15ClN4 and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(3-chloroanilino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: BAS 00588830, 11-((3-chlorophenyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, 11-(3-chloroanilino)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, 11-[(3-chlorophenyl)amino]-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cyclopenta[2 ,1-d]pyridine-4-carbonitrile, 11-[(3-chlorophenyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C21H15ClN4 |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 5.24488 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.0985 |
| Heavy Atoms | 26 |
| Complexity | 1216.3574 |
Chemical Identifiers
| CAS Number | 305333-89-5 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC(=CC=C5)Cl)C#N |
Product Overview
BAS 00588830 (CAS 305333-89-5), with molecular formula C21H15ClN4 and molecular weight 358.10 g/mol. IUPAC: 16-(3-chloroanilino)-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 00588830
Property Insights of BAS 00588830
The XLogP value of 5.24488 indicates that BAS 00588830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, BAS 00588830 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00588830 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00588830?
The CAS number of BAS 00588830 is 305333-89-5.
What is the molecular formula of BAS 00588830?
The molecular formula of BAS 00588830 is C21H15ClN4.
What is the molecular weight of BAS 00588830?
The molecular weight of BAS 00588830 is 358.10 g/mol.
Where can I buy BAS 00588830?
You can request a quote for BAS 00588830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00588830?
Yes, KEHONG BIO provides custom synthesis services for BAS 00588830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.