BAS 00846444
TL;DR: BAS 00846444 (CAS 309939-02-4) is a chemical compound with molecular formula C24H17N3O3 and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)pyridine-3-carboxamide
Also Known As: BAS 00846444, N-(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)NICOTINAMIDE, N-((9R,10S,11S,15R)-12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)nicotinamide, N-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)nicotinamide, N-(16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonadeca-2(7),3, 5,9,11,13-hexaen-17-yl)-3-pyridylcarboxamide
| Molecular Formula | C24H17N3O3 |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 2.6186 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.12698 |
| Heavy Atoms | 30 |
| Complexity | 1107.6305 |
Chemical Identifiers
| CAS Number | 309939-02-4 |
|---|---|
| SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)NC(=O)C6=CN=CC=C6 |
Product Overview
BAS 00846444 (CAS 309939-02-4), with molecular formula C24H17N3O3 and molecular weight 395.13 g/mol. IUPAC: N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)pyridine-3-carboxamide.
Chemical Property Profile of BAS 00846444
Property Insights of BAS 00846444
The XLogP value of 2.6186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00846444. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00846444. Following Lipinski's Rule of Five, BAS 00846444 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 00846444?
The CAS number of BAS 00846444 is 309939-02-4.
What is the molecular formula of BAS 00846444?
The molecular formula of BAS 00846444 is C24H17N3O3.
What is the molecular weight of BAS 00846444?
The molecular weight of BAS 00846444 is 395.13 g/mol.
Where can I buy BAS 00846444?
You can request a quote for BAS 00846444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00846444?
Yes, KEHONG BIO provides custom synthesis services for BAS 00846444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.