CAS 53958-47-7 - C42H63N21O28
TL;DR: CAS 53958-47-7 - C42H63N21O28 (CAS 53958-47-7) is a chemical compound with molecular formula C42H63N21O28 and molecular weight 1309.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Also Known As: (1S,3R,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-Heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, (1S,3R,6S,8R,11S,13S,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
| Molecular Formula | C42H63N21O28 |
|---|---|
| Molecular Weight | 1309.42 g/mol |
| LogP | -6.0046 |
| Topological Polar Surface Area | 753.76 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 14 |
| Exact Mass | 1309.4152 |
| Heavy Atoms | 91 |
| Complexity | 2290.7861 |
Chemical Identifiers
| CAS Number | 53958-47-7 |
|---|---|
| SMILES | C(C1[C@@H]2C(C([C@H](O1)O[C@@H]3C(O[C@@H](C(C3O)O)O[C@@H]4C(O[C@@H](C(C4O)O)O[C@@H]5C(O[C@@H](C(C5O)O)O[C@@H]6C(O[C@@H](C(C6O)O)O[C@@H]7C(O[C@@H](C(C7O)O)O[C@@H]8C(O[C@@H](O2)C(C8O)O)CN=[N+]=[N-])CN=[N+]=[N-])CN=[N+]=[N-])CN=[N+]=[N-])CN=[N+]=[N-])CN=[N+]=[N-])O)O)N=[N+]=[N-] |
Product Overview
CAS 53958-47-7 - C42H63N21O28 (CAS 53958-47-7), with molecular formula C42H63N21O28 and molecular weight 1309.42 g/mol. IUPAC: (1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol.
Chemical Property Profile of CAS 53958-47-7 - C42H63N21O28
Property Insights of CAS 53958-47-7 - C42H63N21O28
The XLogP value of -6.0046 indicates that CAS 53958-47-7 - C42H63N21O28 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 753.76 Ų indicates high polarity, suggesting CAS 53958-47-7 - C42H63N21O28 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CAS 53958-47-7 - C42H63N21O28 has 14 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 53958-47-7 - C42H63N21O28?
The CAS number of CAS 53958-47-7 - C42H63N21O28 is 53958-47-7.
What is the molecular formula of CAS 53958-47-7 - C42H63N21O28?
The molecular formula of CAS 53958-47-7 - C42H63N21O28 is C42H63N21O28.
What is the molecular weight of CAS 53958-47-7 - C42H63N21O28?
The molecular weight of CAS 53958-47-7 - C42H63N21O28 is 1309.42 g/mol.
Where can I buy CAS 53958-47-7 - C42H63N21O28?
You can request a quote for CAS 53958-47-7 - C42H63N21O28 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 53958-47-7 - C42H63N21O28?
Yes, KEHONG BIO provides custom synthesis services for CAS 53958-47-7 - C42H63N21O28 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.