Einecs 273-657-6
TL;DR: Einecs 273-657-6 (CAS 68991-93-5) is a chemical compound with molecular formula C36H53N2O11P and molecular weight 720.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-amino-2-methylpropane-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: TMP, DI-AMPD 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-methyl-1,3-propanediol (1:2), 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-methyl-1,3-propanediol (1:2), 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-methylpropane-1,3-diol(1:2), THYMOLPHTHALEIN MONOPHOSPHORIC ACID, DI-2-AMINO-2-METHYL-1,3
| Molecular Formula | C36H53N2O11P |
|---|---|
| Molecular Weight | 720.34 g/mol |
| LogP | 3.57 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 720.3387 |
| Heavy Atoms | 50 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 68991-93-5 |
|---|---|
| SMILES | 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.CC(CO)(CO)N.CC(CO)(CO)N |
| InChIKey | GDHFONOAOFSWQN-UHFFFAOYSA-N |
Product Overview
Einecs 273-657-6 (CAS 68991-93-5), with molecular formula C36H53N2O11P and molecular weight 720.34 g/mol. IUPAC: bis(2-amino-2-methylpropane-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 Einecs 273-657-6
Property Insights of Einecs 273-657-6
The XLogP value of 3.57 indicates that Einecs 273-657-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 246.0 Ų indicates high polarity, suggesting Einecs 273-657-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 273-657-6 has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 273-657-6?
The CAS number of Einecs 273-657-6 is 68991-93-5.
What is the molecular formula of Einecs 273-657-6?
The molecular formula of Einecs 273-657-6 is C36H53N2O11P.
What is the molecular weight of Einecs 273-657-6?
The molecular weight of Einecs 273-657-6 is 720.34 g/mol.
Where can I buy Einecs 273-657-6?
You can request a quote for Einecs 273-657-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 273-657-6?
Yes, KEHONG BIO provides custom synthesis services for Einecs 273-657-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.