![(5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate structure](/static/products/5375/53758-33-1.webp)
(5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate
TL;DR: (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate (CAS 53758-33-1) is a chemical compound with molecular formula C33H55N3O6 and molecular weight 589.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate
Also Known As: (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate, [3-(Dodecanoyloxy)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl dodecanoate, Dodecanoic acid,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]-oxazolo[3,2-a]pyrimidin-2-yl]methyl ester, monohydrochloride, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))- (MF1)
| Molecular Formula | C33H55N3O6 |
|---|---|
| Molecular Weight | 589.41 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 25 |
| Exact Mass | 589.40906 |
| Heavy Atoms | 42 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 53758-33-1 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC1C(C2C(O1)N3C=CC(=N)N=C3O2)OC(=O)CCCCCCCCCCC |
| InChIKey | ZDSNAYXGSXVZJV-UHFFFAOYSA-N |
Product Overview
(5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate (CAS 53758-33-1), with molecular formula C33H55N3O6 and molecular weight 589.41 g/mol. IUPAC: (5-dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate.
Chemical Property Profile of (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate
Property Insights of (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate
The XLogP value of 8.5 indicates that (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate 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 (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate. Following Lipinski's Rule of Five, (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate 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 (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate?
The CAS number of (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate is 53758-33-1.
What is the molecular formula of (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate?
The molecular formula of (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate is C33H55N3O6.
What is the molecular weight of (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate?
The molecular weight of (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate is 589.41 g/mol.
Where can I buy (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate?
You can request a quote for (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.