1,3-Pentanediol, 2,2,4-trimethyl-, diformate
TL;DR: 1,3-Pentanediol, 2,2,4-trimethyl-, diformate (CAS 5451-59-2) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formyloxy-2,2,4-trimethylpentyl) formate
Also Known As: 2,2,4-Trimethylpentane-1,3-diyl diformate, 1,3-Pentanediol, 2,2,4-trimethyl-, diformate, (3-formyloxy-2,2,4-trimethylpentyl) formate, 2,2,4-trimethylpentane-1,3-diyldiformate, 2,2,4-Trimethyl-1,3-pentanediol diformate
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 5451-59-2 |
|---|---|
| SMILES | CC(C)C(C(C)(C)COC=O)OC=O |
| InChIKey | JJSQUEVEQCZSTG-UHFFFAOYSA-N |
Product Overview
1,3-Pentanediol, 2,2,4-trimethyl-, diformate (CAS 5451-59-2), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: (3-formyloxy-2,2,4-trimethylpentyl) formate.
Chemical Property Profile of 1,3-Pentanediol, 2,2,4-trimethyl-, diformate
Property Insights of 1,3-Pentanediol, 2,2,4-trimethyl-, diformate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Pentanediol, 2,2,4-trimethyl-, diformate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Pentanediol, 2,2,4-trimethyl-, diformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Pentanediol, 2,2,4-trimethyl-, diformate has 0 hydrogen bond donor(s) and 4 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 1,3-Pentanediol, 2,2,4-trimethyl-, diformate?
The CAS number of 1,3-Pentanediol, 2,2,4-trimethyl-, diformate is 5451-59-2.
What is the molecular formula of 1,3-Pentanediol, 2,2,4-trimethyl-, diformate?
The molecular formula of 1,3-Pentanediol, 2,2,4-trimethyl-, diformate is C10H18O4.
What is the molecular weight of 1,3-Pentanediol, 2,2,4-trimethyl-, diformate?
The molecular weight of 1,3-Pentanediol, 2,2,4-trimethyl-, diformate is 202.12 g/mol.
Where can I buy 1,3-Pentanediol, 2,2,4-trimethyl-, diformate?
You can request a quote for 1,3-Pentanediol, 2,2,4-trimethyl-, diformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Pentanediol, 2,2,4-trimethyl-, diformate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Pentanediol, 2,2,4-trimethyl-, diformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.