3-Heptadecyl-5-(pentylamino)-1,2-benzenediol
TL;DR: 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol (CAS 75776-36-2) is a chemical compound with molecular formula C28H51NO2 and molecular weight 433.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptadecyl-5-(pentylamino)benzene-1,2-diol
Also Known As: 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol, 3-heptadecyl-5-(pentylamino)benzene-1,2-diol, 1,2-Benzenediol, 3-heptadecyl-5-(pentylamino)-
| Molecular Formula | C28H51NO2 |
|---|---|
| Molecular Weight | 433.39 g/mol |
| LogP | 11.9 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 433.39197 |
| Heavy Atoms | 31 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 75776-36-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)NCCCCC)O)O |
| InChIKey | IOAOKJCAWRHCBK-UHFFFAOYSA-N |
Product Overview
3-Heptadecyl-5-(pentylamino)-1,2-benzenediol (CAS 75776-36-2), with molecular formula C28H51NO2 and molecular weight 433.39 g/mol. IUPAC: 3-heptadecyl-5-(pentylamino)benzene-1,2-diol.
Chemical Property Profile of 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol
Property Insights of 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol
The XLogP value of 11.9 indicates that 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol?
The CAS number of 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol is 75776-36-2.
What is the molecular formula of 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol?
The molecular formula of 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol is C28H51NO2.
What is the molecular weight of 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol?
The molecular weight of 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol is 433.39 g/mol.
Where can I buy 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol?
You can request a quote for 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptadecyl-5-(pentylamino)-1,2-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.