BAS 00548166
TL;DR: BAS 00548166 (CAS 328243-08-9) is a chemical compound with molecular formula C27H29IO5 and molecular weight 560.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: BAS 00548166, 9-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-(3-iodo-5-methoxy-4-prop-2-ynyloxyphenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7-he xahydroxanthene-1,8-dione, 9-[3-IODO-5-METHOXY-4-(PROP-2-YN-1-YLOXY)PHENYL]-3,3,6,6-TETRAMETHYL-2,3,4,5,6,7,8,9-OCTAHYDRO-1H-XANTHENE-1,8-DIONE, 9-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
| Molecular Formula | C27H29IO5 |
|---|---|
| Molecular Weight | 560.11 g/mol |
| LogP | 5.712 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 560.10596 |
| Heavy Atoms | 33 |
| Complexity | 1093.7783 |
Chemical Identifiers
| CAS Number | 328243-08-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)I)OCC#C)OC)C(=O)C1)C |
Product Overview
BAS 00548166 (CAS 328243-08-9), with molecular formula C27H29IO5 and molecular weight 560.11 g/mol. IUPAC: 9-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of BAS 00548166
Property Insights of BAS 00548166
The XLogP value of 5.712 indicates that BAS 00548166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00548166. Following Lipinski's Rule of Five, BAS 00548166 has 0 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 00548166?
The CAS number of BAS 00548166 is 328243-08-9.
What is the molecular formula of BAS 00548166?
The molecular formula of BAS 00548166 is C27H29IO5.
What is the molecular weight of BAS 00548166?
The molecular weight of BAS 00548166 is 560.11 g/mol.
Where can I buy BAS 00548166?
You can request a quote for BAS 00548166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00548166?
Yes, KEHONG BIO provides custom synthesis services for BAS 00548166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.