1,2,3-Heptanetriol
TL;DR: 1,2,3-Heptanetriol (CAS 103404-57-5) is a chemical compound with molecular formula CCCCC(C(CO)O)O and molecular weight 148.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptane-1,2,3-triol
Also Known As: 1,2,3-Heptanetriol, Heptane-1,2,3-triol, 1-butylglycerol, 1-n-butylglycerol, 1,2,3-Trihydroxyheptane
| Molecular Formula | CCCCC(C(CO)O)O |
|---|---|
| Molecular Weight | 148.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.10994 |
| Heavy Atoms | 10 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 103404-57-5 |
|---|---|
| SMILES | CCCCC(C(CO)O)O |
| InChIKey | HXYCHJFUBNTKQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Heptanetriol (CAS 103404-57-5), with molecular formula CCCCC(C(CO)O)O and molecular weight 148.11 g/mol. IUPAC: heptane-1,2,3-triol.
Chemical Property Profile of 1,2,3-Heptanetriol
Property Insights of 1,2,3-Heptanetriol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Heptanetriol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Heptanetriol. Following Lipinski's Rule of Five, 1,2,3-Heptanetriol has 3 hydrogen bond donor(s) and 3 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 1,2,3-Heptanetriol?
The CAS number of 1,2,3-Heptanetriol is 103404-57-5.
What is the molecular formula of 1,2,3-Heptanetriol?
The molecular formula of 1,2,3-Heptanetriol is CCCCC(C(CO)O)O.
What is the molecular weight of 1,2,3-Heptanetriol?
The molecular weight of 1,2,3-Heptanetriol is 148.11 g/mol.
Where can I buy 1,2,3-Heptanetriol?
You can request a quote for 1,2,3-Heptanetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Heptanetriol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Heptanetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.