1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)-
TL;DR: 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- (CAS 850-99-7) is a chemical compound with molecular formula C17H18Cl2O4 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis[(4-chlorophenoxy)methyl]propane-1,3-diol
Also Known As: 2,2-bis[(4-chlorophenoxy)methyl]propane-1,3-diol, 1519 H.C., 1519 H.C, 1519H.C., 2,2-Bis((p-chlorophenoxy)methyl)-1,3-propanediol
| Molecular Formula | C17H18Cl2O4 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.05823 |
| Heavy Atoms | 23 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 850-99-7 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(CO)(CO)COC2=CC=C(C=C2)Cl)Cl |
| InChIKey | PSOSGZGSAABPRJ-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- (CAS 850-99-7), with molecular formula C17H18Cl2O4 and molecular weight 356.06 g/mol. IUPAC: 2,2-bis[(4-chlorophenoxy)methyl]propane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)-
Property Insights of 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)-
The XLogP value of 3.6 indicates that 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- has 2 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-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)-?
The CAS number of 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- is 850-99-7.
What is the molecular formula of 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)-?
The molecular formula of 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- is C17H18Cl2O4.
What is the molecular weight of 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)-?
The molecular weight of 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- is 356.06 g/mol.
Where can I buy 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)-?
You can request a quote for 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-bis((p-chlorophenoxy)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.