3'-Myristoylancitabine hydrochloride
TL;DR: 3'-Myristoylancitabine hydrochloride (CAS 53758-26-2) is a chemical compound with molecular formula C23H37N3O5 and molecular weight 435.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] tetradecanoate
Also Known As: 3'-Myristoylancitabine hydrochloride, Ancitabine, 3'-myristoyl hydrochloride, 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl tetradecanoate, Tetradecanoic acid, 2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo(2',3':4,5)oxazolo(3,2-a)pyrimidin-3-yl ester, monohydrochloride, (2R-(2alpha,3beta,3abeta,9abeta))-, Tetradecanoic acid,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]-oxazolo[3,2-a]pyrimidin-3-yl ester, monohydrochloride, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))- (MF1)
| Molecular Formula | C23H37N3O5 |
|---|---|
| Molecular Weight | 435.27 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 435.27332 |
| Heavy Atoms | 31 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 53758-26-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OC1C(OC2C1OC3=NC(=N)C=CN23)CO |
| InChIKey | BLSSJOQQCHQEIS-UHFFFAOYSA-N |
Product Overview
3'-Myristoylancitabine hydrochloride (CAS 53758-26-2), with molecular formula C23H37N3O5 and molecular weight 435.27 g/mol. IUPAC: [4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] tetradecanoate.
Chemical Property Profile of 3'-Myristoylancitabine hydrochloride
Property Insights of 3'-Myristoylancitabine hydrochloride
The XLogP value of 3.9 indicates that 3'-Myristoylancitabine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Myristoylancitabine hydrochloride. Following Lipinski's Rule of Five, 3'-Myristoylancitabine hydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-Myristoylancitabine hydrochloride?
The CAS number of 3'-Myristoylancitabine hydrochloride is 53758-26-2.
What is the molecular formula of 3'-Myristoylancitabine hydrochloride?
The molecular formula of 3'-Myristoylancitabine hydrochloride is C23H37N3O5.
What is the molecular weight of 3'-Myristoylancitabine hydrochloride?
The molecular weight of 3'-Myristoylancitabine hydrochloride is 435.27 g/mol.
Where can I buy 3'-Myristoylancitabine hydrochloride?
You can request a quote for 3'-Myristoylancitabine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Myristoylancitabine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3'-Myristoylancitabine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.