bucladesine
TL;DR: bucladesine (CAS 16980-89-5) is a chemical compound with molecular formula C14H18N5O6P and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[9-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]butanamide
Also Known As: bucladesine, N(6)-Monobutyryl-2'-deoxycyclic adenosine monophosphate, N-[9-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]butanamide
| Molecular Formula | C14H18N5O6P |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 1.3682 |
| Topological Polar Surface Area | 137.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.09946 |
| Heavy Atoms | 26 |
| Complexity | 887.83453 |
Chemical Identifiers
| CAS Number | 16980-89-5 |
|---|---|
| SMILES | CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3CC4C(O3)COP(=O)(O4)O |
Product Overview
bucladesine (CAS 16980-89-5), with molecular formula C14H18N5O6P and molecular weight 383.10 g/mol. IUPAC: N-[9-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]butanamide.
Chemical Property Profile of bucladesine
Property Insights of bucladesine
The XLogP value of 1.3682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bucladesine. The TPSA of 137.69 Ų falls within the moderate polarity range, balancing permeability and solubility for bucladesine. Following Lipinski's Rule of Five, bucladesine has 2 hydrogen bond donor(s) and 8 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 bucladesine?
The CAS number of bucladesine is 16980-89-5.
What is the molecular formula of bucladesine?
The molecular formula of bucladesine is C14H18N5O6P.
What is the molecular weight of bucladesine?
The molecular weight of bucladesine is 383.10 g/mol.
Where can I buy bucladesine?
You can request a quote for bucladesine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bucladesine?
Yes, KEHONG BIO provides custom synthesis services for bucladesine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.