Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate
TL;DR: Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate (CAS 74914-56-0) is a chemical compound with molecular formula C15H28BrNO5 and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-4-hydroxy-3-nitropentan-2-yl) decanoate
Also Known As: 2-Bromo-3-hydroxy-1-methyl-2-nitrobutyl decanoate, 3-Bromo-3-nitro-2-(caproyloxy)-4-hydroxypentane, Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate, (3-bromo-4-hydroxy-3-nitropentan-2-yl) decanoate, 3-Nitro-3-bromo-2-caprinoyloxy-4-hydroxypentane
| Molecular Formula | C15H28BrNO5 |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 381.11508 |
| Heavy Atoms | 22 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 74914-56-0 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC(C)C(C(C)O)([N+](=O)[O-])Br |
| InChIKey | JLPOMTDHZCNARV-UHFFFAOYSA-N |
Product Overview
Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate (CAS 74914-56-0), with molecular formula C15H28BrNO5 and molecular weight 381.12 g/mol. IUPAC: (3-bromo-4-hydroxy-3-nitropentan-2-yl) decanoate.
Chemical Property Profile of Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate
Property Insights of Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate
The XLogP value of 4.9 indicates that Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate. Following Lipinski's Rule of Five, Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate has 1 hydrogen bond donor(s) and 5 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 Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate?
The CAS number of Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate is 74914-56-0.
What is the molecular formula of Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate?
The molecular formula of Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate is C15H28BrNO5.
What is the molecular weight of Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate?
The molecular weight of Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate is 381.12 g/mol.
Where can I buy Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate?
You can request a quote for Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentitol, 3-C-bromo-1,3,5-trideoxy-3-nitro-, 2-decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.