BAS 00436645
TL;DR: BAS 00436645 (CAS 5402-44-8) is a chemical compound with molecular formula C24H27BrO5 and molecular weight 474.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: BAS 00436645, AB00084070-01, 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7-hexahydr oxanthene-1,8-dione
| Molecular Formula | C24H27BrO5 |
|---|---|
| Molecular Weight | 474.10 g/mol |
| LogP | 5.5635 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.1042 |
| Heavy Atoms | 30 |
| Complexity | 976.27704 |
Chemical Identifiers
| CAS Number | 5402-44-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)Br)O)OC)C(=O)C1)C |
Product Overview
BAS 00436645 (CAS 5402-44-8), with molecular formula C24H27BrO5 and molecular weight 474.10 g/mol. IUPAC: 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of BAS 00436645
Property Insights of BAS 00436645
The XLogP value of 5.5635 indicates that BAS 00436645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00436645. Following Lipinski's Rule of Five, BAS 00436645 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00436645?
The CAS number of BAS 00436645 is 5402-44-8.
What is the molecular formula of BAS 00436645?
The molecular formula of BAS 00436645 is C24H27BrO5.
What is the molecular weight of BAS 00436645?
The molecular weight of BAS 00436645 is 474.10 g/mol.
Where can I buy BAS 00436645?
You can request a quote for BAS 00436645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00436645?
Yes, KEHONG BIO provides custom synthesis services for BAS 00436645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.