RefChem:211715
TL;DR: RefChem:211715 (CAS 69847-47-8) is a chemical compound with molecular formula C33H44NO9P and molecular weight 629.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-ethylpropane-1,3-diol;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate
Also Known As: Thymolphthalein monophosphate, 2-amino-2-ethyl-1,3-propanediol salt, 1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, compd. with 2-amino-2-ethyl-1,3-propanediol (1:1), 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, compd. with 2-amino-2-ethyl-1,3-propanediol (1:1), 4-{1-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}-5-methyl-2-(propan-2-yl)phenyl dihydrogen phosphate- 2-amino-2-ethylpropane-1,3-diol(1:1), 2-amino-2-ethylpropane-1,3-diol; [4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate
| Molecular Formula | C33H44NO9P |
|---|---|
| Molecular Weight | 629.28 g/mol |
| LogP | 5.27 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 629.2754 |
| Heavy Atoms | 44 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 69847-47-8 |
|---|---|
| SMILES | CCC(CO)(CO)N.CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)(O)O)C(C)C)C(C)C)O |
| InChIKey | YFYTYSJEXZGRBR-UHFFFAOYSA-N |
Product Overview
RefChem:211715 (CAS 69847-47-8), with molecular formula C33H44NO9P and molecular weight 629.28 g/mol. IUPAC: 2-amino-2-ethylpropane-1,3-diol;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate.
Chemical Property Profile of RefChem:211715
Property Insights of RefChem:211715
The XLogP value of 5.27 indicates that RefChem:211715 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.0 Ų indicates high polarity, suggesting RefChem:211715 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:211715 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:211715?
The CAS number of RefChem:211715 is 69847-47-8.
What is the molecular formula of RefChem:211715?
The molecular formula of RefChem:211715 is C33H44NO9P.
What is the molecular weight of RefChem:211715?
The molecular weight of RefChem:211715 is 629.28 g/mol.
Where can I buy RefChem:211715?
You can request a quote for RefChem:211715 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:211715?
Yes, KEHONG BIO provides custom synthesis services for RefChem:211715 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.