ChemDiv1_011557
TL;DR: ChemDiv1_011557 (CAS 139501-87-4) is a chemical compound with molecular formula C21H24O3S and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: ChemDiv1_011557, BAS 00457680, 3,3,6,6-tetramethyl-9-(thiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, J3.112.896J, AB00078142-01
| Molecular Formula | C21H24O3S |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 5.1483 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.14462 |
| Heavy Atoms | 25 |
| Complexity | 769.33246 |
Chemical Identifiers
| CAS Number | 139501-87-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CS4)C(=O)C1)C |
Product Overview
ChemDiv1_011557 (CAS 139501-87-4), with molecular formula C21H24O3S and molecular weight 356.14 g/mol. IUPAC: 3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of ChemDiv1_011557
Property Insights of ChemDiv1_011557
The XLogP value of 5.1483 indicates that ChemDiv1_011557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, ChemDiv1_011557 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_011557 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_011557?
The CAS number of ChemDiv1_011557 is 139501-87-4.
What is the molecular formula of ChemDiv1_011557?
The molecular formula of ChemDiv1_011557 is C21H24O3S.
What is the molecular weight of ChemDiv1_011557?
The molecular weight of ChemDiv1_011557 is 356.14 g/mol.
Where can I buy ChemDiv1_011557?
You can request a quote for ChemDiv1_011557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011557?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.