2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate
TL;DR: 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate (CAS 64130-39-8) is a chemical compound with molecular formula C31H39N3O6 and molecular weight 549.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(adamantane-1-carbonyloxy)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl adamantane-1-carboxylate
Also Known As: 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate, [3-(adamantane-1-carbonyloxy)-6-imino-2,3,3a,9a-tetrahydrofuro[[?]:[?]]oxazolo[[?]]pyrimidin-2-yl]methyl adamantane-1-carboxylate, 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl 1-adamantanecarboxylate, 6-Imino-2-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)oxy]methyl}-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl adamantane-1-carboxylate
| Molecular Formula | C31H39N3O6 |
|---|---|
| Molecular Weight | 549.28 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.2839 |
| Heavy Atoms | 40 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 64130-39-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C5C(O4)N6C=CC(=N)N=C6O5)OC(=O)C78CC9CC(C7)CC(C9)C8 |
| InChIKey | HEHNEVFRDKTRLS-UHFFFAOYSA-N |
Product Overview
2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate (CAS 64130-39-8), with molecular formula C31H39N3O6 and molecular weight 549.28 g/mol. IUPAC: [5-(adamantane-1-carbonyloxy)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl adamantane-1-carboxylate.
Chemical Property Profile of 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate
Property Insights of 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate
The XLogP value of 3.4 indicates that 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate. Following Lipinski's Rule of Five, 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate?
The CAS number of 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate is 64130-39-8.
What is the molecular formula of 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate?
The molecular formula of 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate is C31H39N3O6.
What is the molecular weight of 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate?
The molecular weight of 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate is 549.28 g/mol.
Where can I buy 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate?
You can request a quote for 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(((1-Adamantylcarbonyl)oxy)methyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl 1-adamantanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.