1,13-Tridecanediol diacetate
TL;DR: 1,13-Tridecanediol diacetate (CAS 42236-70-4) is a chemical compound with molecular formula C17H32O4 and molecular weight 300.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-acetyloxytridecyl acetate
Also Known As: 1,13-Tridecanediol diacetate, 13-acetyloxytridecyl acetate, 13-(Acetyloxy)tridecyl acetate, 1,13-Tridecanedioldiacetate, 1,13-Tridecanediol, diacetate
| Molecular Formula | C17H32O4 |
|---|---|
| Molecular Weight | 300.23 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 300.23007 |
| Heavy Atoms | 21 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 42236-70-4 |
|---|---|
| SMILES | CC(=O)OCCCCCCCCCCCCCOC(=O)C |
| InChIKey | PBRSUOKUFHQRKC-UHFFFAOYSA-N |
Product Overview
1,13-Tridecanediol diacetate (CAS 42236-70-4), with molecular formula C17H32O4 and molecular weight 300.23 g/mol. IUPAC: 13-acetyloxytridecyl acetate.
Chemical Property Profile of 1,13-Tridecanediol diacetate
Property Insights of 1,13-Tridecanediol diacetate
The XLogP value of 5.2 indicates that 1,13-Tridecanediol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,13-Tridecanediol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,13-Tridecanediol diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,13-Tridecanediol diacetate?
The CAS number of 1,13-Tridecanediol diacetate is 42236-70-4.
What is the molecular formula of 1,13-Tridecanediol diacetate?
The molecular formula of 1,13-Tridecanediol diacetate is C17H32O4.
What is the molecular weight of 1,13-Tridecanediol diacetate?
The molecular weight of 1,13-Tridecanediol diacetate is 300.23 g/mol.
Where can I buy 1,13-Tridecanediol diacetate?
You can request a quote for 1,13-Tridecanediol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,13-Tridecanediol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,13-Tridecanediol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.