BAS 00287727
TL;DR: BAS 00287727 (CAS 300838-53-3) is a chemical compound with molecular formula C22H21NO5 and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: BAS 00287727, AE-842/34646042, 13-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-9,10-dihydro-9,10-[3,4]pyrrolidinoanthracene-12,14-dione, 13-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione, 17-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C22H21NO5 |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 0.5943 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.14197 |
| Heavy Atoms | 28 |
| Complexity | 858.6327 |
Chemical Identifiers
| CAS Number | 300838-53-3 |
|---|---|
| SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C(CO)(CO)CO |
Product Overview
BAS 00287727 (CAS 300838-53-3), with molecular formula C22H21NO5 and molecular weight 379.14 g/mol. IUPAC: 17-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of BAS 00287727
Property Insights of BAS 00287727
The XLogP value of 0.5943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00287727. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00287727. Following Lipinski's Rule of Five, BAS 00287727 has 3 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 00287727?
The CAS number of BAS 00287727 is 300838-53-3.
What is the molecular formula of BAS 00287727?
The molecular formula of BAS 00287727 is C22H21NO5.
What is the molecular weight of BAS 00287727?
The molecular weight of BAS 00287727 is 379.14 g/mol.
Where can I buy BAS 00287727?
You can request a quote for BAS 00287727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00287727?
Yes, KEHONG BIO provides custom synthesis services for BAS 00287727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.