BAS 00442646
TL;DR: BAS 00442646 (CAS 332401-26-0) is a chemical compound with molecular formula C27H26ClNO6 and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: BAS 00442646, 9-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-(5-{2-chloro-5-nitrophenyl}-2-furyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-[5-(2-chloro-5-nitrophenyl)(2-furyl)]-3,3,6,6-tetramethyl-2,3,4,5,6,7-hexahy droxanthene-1,8-dione
| Molecular Formula | C27H26ClNO6 |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 6.9084 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.14487 |
| Heavy Atoms | 35 |
| Complexity | 1307.396 |
Chemical Identifiers
| CAS Number | 332401-26-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(O4)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)C(=O)C1)C |
Product Overview
BAS 00442646 (CAS 332401-26-0), with molecular formula C27H26ClNO6 and molecular weight 495.14 g/mol. IUPAC: 9-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of BAS 00442646
Property Insights of BAS 00442646
The XLogP value of 6.9084 indicates that BAS 00442646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00442646. Following Lipinski's Rule of Five, BAS 00442646 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00442646?
The CAS number of BAS 00442646 is 332401-26-0.
What is the molecular formula of BAS 00442646?
The molecular formula of BAS 00442646 is C27H26ClNO6.
What is the molecular weight of BAS 00442646?
The molecular weight of BAS 00442646 is 495.14 g/mol.
Where can I buy BAS 00442646?
You can request a quote for BAS 00442646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00442646?
Yes, KEHONG BIO provides custom synthesis services for BAS 00442646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.