BAS 08138831
TL;DR: BAS 08138831 (CAS 384352-31-2) is a chemical compound with molecular formula C21H23N5O and molecular weight 361.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[4-(2-hydroxyethyl)piperazin-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 08138831, UPCMLD0ENAT5747450:001, 11-(4-(2-hydroxyethyl)piperazin-1-yl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, F1126-0055, 16-[4-(2-hydroxyethyl)piperazin-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 | C21H23N5O |
|---|---|
| Molecular Weight | 361.19 g/mol |
| LogP | 1.96218 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.19025 |
| Heavy Atoms | 27 |
| Complexity | 1056.0355 |
Chemical Identifiers
| CAS Number | 384352-31-2 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)N5CCN(CC5)CCO)C#N |
Product Overview
BAS 08138831 (CAS 384352-31-2), with molecular formula C21H23N5O and molecular weight 361.19 g/mol. IUPAC: 16-[4-(2-hydroxyethyl)piperazin-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 08138831
Property Insights of BAS 08138831
The XLogP value of 1.96218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08138831. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08138831. Following Lipinski's Rule of Five, BAS 08138831 has 1 hydrogen bond donor(s) and 5 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 08138831?
The CAS number of BAS 08138831 is 384352-31-2.
What is the molecular formula of BAS 08138831?
The molecular formula of BAS 08138831 is C21H23N5O.
What is the molecular weight of BAS 08138831?
The molecular weight of BAS 08138831 is 361.19 g/mol.
Where can I buy BAS 08138831?
You can request a quote for BAS 08138831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08138831?
Yes, KEHONG BIO provides custom synthesis services for BAS 08138831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.