BAS 00648896
TL;DR: BAS 00648896 (CAS 331865-70-4) is a chemical compound with molecular formula C28H31NO4 and molecular weight 445.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 6-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate
Also Known As: BAS 00648896, butyl 6-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate, butyl 6-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate (non-preferred name), butyl 6-(16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonadeca-2 (7),3,5,9(14),10,12-hexaen-17-yl)hexanoate, butyl 6-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate
| Molecular Formula | C28H31NO4 |
|---|---|
| Molecular Weight | 445.23 g/mol |
| LogP | 4.7823 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.2253 |
| Heavy Atoms | 33 |
| Complexity | 961.572 |
Chemical Identifiers
| CAS Number | 331865-70-4 |
|---|---|
| SMILES | CCCCOC(=O)CCCCCN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 |
Product Overview
BAS 00648896 (CAS 331865-70-4), with molecular formula C28H31NO4 and molecular weight 445.23 g/mol. IUPAC: butyl 6-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate.
Chemical Property Profile of BAS 00648896
Property Insights of BAS 00648896
The XLogP value of 4.7823 indicates that BAS 00648896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00648896. Following Lipinski's Rule of Five, BAS 00648896 has 0 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 00648896?
The CAS number of BAS 00648896 is 331865-70-4.
What is the molecular formula of BAS 00648896?
The molecular formula of BAS 00648896 is C28H31NO4.
What is the molecular weight of BAS 00648896?
The molecular weight of BAS 00648896 is 445.23 g/mol.
Where can I buy BAS 00648896?
You can request a quote for BAS 00648896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00648896?
Yes, KEHONG BIO provides custom synthesis services for BAS 00648896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.