BAS 00897012
TL;DR: BAS 00897012 (CAS 332064-76-3) is a chemical compound with molecular formula C28H28ClNO7 and molecular weight 525.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: BAS 00897012, BIM-0017236.P001, 9-[5-(5-Chloro-2-methoxy-4-nitrophenyl)-2-furanyl]-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl-1H-xanthene-1,8(2H)-dione, 9-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-[5-(5-chloro-2-methoxy-4-nitrophenyl)-2-furyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
| Molecular Formula | C28H28ClNO7 |
|---|---|
| Molecular Weight | 525.16 g/mol |
| LogP | 6.917 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 525.15546 |
| Heavy Atoms | 37 |
| Complexity | 1373.851 |
Chemical Identifiers
| CAS Number | 332064-76-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(O4)C5=CC(=C(C=C5OC)[N+](=O)[O-])Cl)C(=O)C1)C |
Product Overview
BAS 00897012 (CAS 332064-76-3), with molecular formula C28H28ClNO7 and molecular weight 525.16 g/mol. IUPAC: 9-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of BAS 00897012
Property Insights of BAS 00897012
The XLogP value of 6.917 indicates that BAS 00897012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00897012. Following Lipinski's Rule of Five, BAS 00897012 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00897012?
The CAS number of BAS 00897012 is 332064-76-3.
What is the molecular formula of BAS 00897012?
The molecular formula of BAS 00897012 is C28H28ClNO7.
What is the molecular weight of BAS 00897012?
The molecular weight of BAS 00897012 is 525.16 g/mol.
Where can I buy BAS 00897012?
You can request a quote for BAS 00897012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00897012?
Yes, KEHONG BIO provides custom synthesis services for BAS 00897012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.