RefChem:478506
TL;DR: RefChem:478506 (CAS 70776-15-7) is a chemical compound with molecular formula C17H33Cl3O4 and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-[1-chloro-3-[1-chloro-3-(3-methylheptoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-ol
Also Known As: 2-propanol, 1-chloro-3-[2-chloro-1-[[2-chloro-1-[[(3-methylheptyl)oxy]methyl]ethoxy]methyl]ethoxy]-, 2-Propanol, 1-chloro-3-(2-chloro-1-((2-chloro-1-(((3-methylheptyl)oxy)methyl)ethoxy)methyl)ethoxy)-, 1-CHLORO-3-{[1-CHLORO-3-({1-CHLORO-3-[(3-METHYLHEPTYL)OXY]PROPAN-2-YL}OXY)PROPAN-2-YL]OXY}PROPAN-2-OL, 1-chloro-3-[1-chloro-3-[1-chloro-3-(3-methylheptoxy)propan-2-yl]oxy-propan-2-yl]oxy-propan-2-ol, 1-chloro-3-[1-chloro-3-[1-chloro-3-(3-methylheptoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-ol
| Molecular Formula | C17H33Cl3O4 |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 406.14444 |
| Heavy Atoms | 24 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 70776-15-7 |
|---|---|
| SMILES | CCCCC(C)CCOCC(CCl)OCC(CCl)OCC(CCl)O |
| InChIKey | KVFVYJSYGGLCNR-UHFFFAOYSA-N |
Product Overview
RefChem:478506 (CAS 70776-15-7), with molecular formula C17H33Cl3O4 and molecular weight 406.14 g/mol. IUPAC: 1-chloro-3-[1-chloro-3-[1-chloro-3-(3-methylheptoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-ol.
Chemical Property Profile of RefChem:478506
Property Insights of RefChem:478506
The XLogP value of 4.4 indicates that RefChem:478506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, RefChem:478506 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:478506 has 1 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 RefChem:478506?
The CAS number of RefChem:478506 is 70776-15-7.
What is the molecular formula of RefChem:478506?
The molecular formula of RefChem:478506 is C17H33Cl3O4.
What is the molecular weight of RefChem:478506?
The molecular weight of RefChem:478506 is 406.14 g/mol.
Where can I buy RefChem:478506?
You can request a quote for RefChem:478506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:478506?
Yes, KEHONG BIO provides custom synthesis services for RefChem:478506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.