Thymidine-8-methoxypsoralen tetramethylethylene diadduct
TL;DR: Thymidine-8-methoxypsoralen tetramethylethylene diadduct (CAS 94591-68-1) is a chemical compound with molecular formula C28H34N2O9 and molecular weight 542.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-11-methoxy-5,5,6,6,20-pentamethyl-9,13-dioxa-16,18-diazahexacyclo[10.9.0.03,10.04,7.014,21.015,20]henicosa-1,3(10),11-triene-8,17,19-trione
Also Known As: TMPTE, Thymidine-8-methoxypsoralen tetramethylethylene diadduct, 16-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-11-methoxy-5,5,6,6,20-pentamethyl-9,13-dioxa-16,18-diazahexacyclo[10.9.0.03,10.04,7.014,21.015,20]henicosa-1,3(10),11-triene-8,17,19-trione, 2H-Cyclobuta(4'',5'')pyrano(3'',2'':5',6')benzofuro(3',2':3,4)cyclobuta(1,2-d)pyrimidine-3,8,10(1H,6aH,9H)-trione, 7-(2-deoxy-beta-D-erythro-pentofuranosyl)-2a,6b,7,10a,10b,11b-hexahydro-5-methoxy-1,1,2,2,10a-pentamethyl-, (2S-(2alpha,5alpha,6beta(S*)))-, 7-(2-Deoxy-D-erythro-pentofuranosyl)-10-hydroxy-5-methoxy-1,1,2,2,10a-pentamethyl-2a,6b,7,10a,10b,11b-hexahydro-2H-cyclobuta[4'',5'']pyrano[3'',2'':5',6'][1]benzofuro[3',2':3,4]cyclobuta[1,2-d]pyrimidine-3,8(1H,6aH)-dione
| Molecular Formula | C28H34N2O9 |
|---|---|
| Molecular Weight | 542.23 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 542.22644 |
| Heavy Atoms | 39 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 94591-68-1 |
|---|---|
| SMILES | CC1(C2C(C1(C)C)C(=O)OC3=C2C=C4C5C(C6C5(C(=O)NC(=O)N6C7C[C@@H]([C@H](O7)CO)O)C)OC4=C3OC)C |
| InChIKey | ATXBJKXCSFZKBX-FNGWQMIZSA-N |
Product Overview
Thymidine-8-methoxypsoralen tetramethylethylene diadduct (CAS 94591-68-1), with molecular formula C28H34N2O9 and molecular weight 542.23 g/mol. IUPAC: 16-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-11-methoxy-5,5,6,6,20-pentamethyl-9,13-dioxa-16,18-diazahexacyclo[10.9.0.03,10.04,7.014,21.015,20]henicosa-1,3(10),11-triene-8,17,19-trione.
Chemical Property Profile of Thymidine-8-methoxypsoralen tetramethylethylene diadduct
Property Insights of Thymidine-8-methoxypsoralen tetramethylethylene diadduct
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine-8-methoxypsoralen tetramethylethylene diadduct. The TPSA of 144.0 Ų indicates high polarity, suggesting Thymidine-8-methoxypsoralen tetramethylethylene diadduct may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine-8-methoxypsoralen tetramethylethylene diadduct has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thymidine-8-methoxypsoralen tetramethylethylene diadduct?
The CAS number of Thymidine-8-methoxypsoralen tetramethylethylene diadduct is 94591-68-1.
What is the molecular formula of Thymidine-8-methoxypsoralen tetramethylethylene diadduct?
The molecular formula of Thymidine-8-methoxypsoralen tetramethylethylene diadduct is C28H34N2O9.
What is the molecular weight of Thymidine-8-methoxypsoralen tetramethylethylene diadduct?
The molecular weight of Thymidine-8-methoxypsoralen tetramethylethylene diadduct is 542.23 g/mol.
Where can I buy Thymidine-8-methoxypsoralen tetramethylethylene diadduct?
You can request a quote for Thymidine-8-methoxypsoralen tetramethylethylene diadduct directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine-8-methoxypsoralen tetramethylethylene diadduct?
Yes, KEHONG BIO provides custom synthesis services for Thymidine-8-methoxypsoralen tetramethylethylene diadduct and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.