2'tBuNH-5',N6(4MeOTrityl)dA
TL;DR: 2'tBuNH-5',N6(4MeOTrityl)dA (CAS 134934-75-1) is a chemical compound with molecular formula C54H54N6O5 and molecular weight 866.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5R)-4-(tert-butylamino)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-ol
Also Known As: 2'tBuNH-5',N6(4MeOTrityl)dA, 2'-(t-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine, 9H-Purin-6-amine, 9-(2-deoxy-2-((1,1-dimethylethyl)amino)-5-O-((4-methoxyphenyl)diphenylmethyl)-beta-D-xylofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-, 3'-Morpholino-5'-(4-methoxytrityl)-3'-deoxythymidine, (2R,3R,4R,5R)-4-(tert-butylamino)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-ol
| Molecular Formula | C54H54N6O5 |
|---|---|
| Molecular Weight | 866.42 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 866.4156 |
| Heavy Atoms | 65 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 134934-75-1 |
|---|---|
| SMILES | CC(C)(C)N[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)O |
| InChIKey | NLTUNDLNRRYHSZ-SFJFQMGESA-N |
Product Overview
2'tBuNH-5',N6(4MeOTrityl)dA (CAS 134934-75-1), with molecular formula C54H54N6O5 and molecular weight 866.42 g/mol. IUPAC: (2R,3R,4R,5R)-4-(tert-butylamino)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-ol.
Chemical Property Profile of 2'tBuNH-5',N6(4MeOTrityl)dA
Property Insights of 2'tBuNH-5',N6(4MeOTrityl)dA
The XLogP value of 9.3 indicates that 2'tBuNH-5',N6(4MeOTrityl)dA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'tBuNH-5',N6(4MeOTrityl)dA. Following Lipinski's Rule of Five, 2'tBuNH-5',N6(4MeOTrityl)dA has 3 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 2'tBuNH-5',N6(4MeOTrityl)dA?
The CAS number of 2'tBuNH-5',N6(4MeOTrityl)dA is 134934-75-1.
What is the molecular formula of 2'tBuNH-5',N6(4MeOTrityl)dA?
The molecular formula of 2'tBuNH-5',N6(4MeOTrityl)dA is C54H54N6O5.
What is the molecular weight of 2'tBuNH-5',N6(4MeOTrityl)dA?
The molecular weight of 2'tBuNH-5',N6(4MeOTrityl)dA is 866.42 g/mol.
Where can I buy 2'tBuNH-5',N6(4MeOTrityl)dA?
You can request a quote for 2'tBuNH-5',N6(4MeOTrityl)dA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'tBuNH-5',N6(4MeOTrityl)dA?
Yes, KEHONG BIO provides custom synthesis services for 2'tBuNH-5',N6(4MeOTrityl)dA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.