T-1095A
TL;DR: T-1095A (CAS 209746-56-5) is a chemical compound with molecular formula C24H26O9 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-5-yl)-1-[2-hydroxy-4-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
Also Known As: O-glucoside, 2, JMC511145 Compound 2, J1.265.331J, 209746-56-5 (T-1095A), 3-(1-benzofuran-5-yl)-1-[2-hydroxy-4-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
| Molecular Formula | C24H26O9 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 1.44102 |
| Topological Polar Surface Area | 149.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.15768 |
| Heavy Atoms | 33 |
| Complexity | 1136.1654 |
Chemical Identifiers
| CAS Number | 209746-56-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)CCC3=CC4=C(C=C3)OC=C4)O |
Product Overview
T-1095A (CAS 209746-56-5), with molecular formula C24H26O9 and molecular weight 458.16 g/mol. IUPAC: 3-(1-benzofuran-5-yl)-1-[2-hydroxy-4-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one.
Chemical Property Profile of T-1095A
Property Insights of T-1095A
The XLogP value of 1.44102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for T-1095A. The TPSA of 149.82 Ų indicates high polarity, suggesting T-1095A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, T-1095A has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of T-1095A?
The CAS number of T-1095A is 209746-56-5.
What is the molecular formula of T-1095A?
The molecular formula of T-1095A is C24H26O9.
What is the molecular weight of T-1095A?
The molecular weight of T-1095A is 458.16 g/mol.
Where can I buy T-1095A?
You can request a quote for T-1095A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T-1095A?
Yes, KEHONG BIO provides custom synthesis services for T-1095A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.