N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt
TL;DR: N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt (CAS 74405-42-8) is a chemical compound with molecular formula C42H39N5O9 and molecular weight 757.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-4-oxobutanoic acid
Also Known As: 5'-o-(4,4'-Dimethoxytrityl)-N6-benzoyl-2'-deoxyadenosine-3'-o-succinic acid, N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt, 4-[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-4-oxo-butanoic acid, 4-[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-4-oxobutanoic acid, 4-[5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-4-oxobutanoic acid
| Molecular Formula | C42H39N5O9 |
|---|---|
| Molecular Weight | 757.27 g/mol |
| LogP | 6.1686 |
| Topological Polar Surface Area | 173.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 757.2748 |
| Heavy Atoms | 56 |
| Complexity | 2236.3872 |
Chemical Identifiers
| CAS Number | 74405-42-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)OC(=O)CCC(=O)O |
Product Overview
N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt (CAS 74405-42-8), with molecular formula C42H39N5O9 and molecular weight 757.27 g/mol. IUPAC: 4-[5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-4-oxobutanoic acid.
Chemical Property Profile of N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt
Property Insights of N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt
The XLogP value of 6.1686 indicates that N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.22 Ų indicates high polarity, suggesting N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt?
The CAS number of N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt is 74405-42-8.
What is the molecular formula of N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt?
The molecular formula of N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt is C42H39N5O9.
What is the molecular weight of N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt?
The molecular weight of N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt is 757.27 g/mol.
Where can I buy N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt?
You can request a quote for N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt?
Yes, KEHONG BIO provides custom synthesis services for N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-O-succinate triethylammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.