磷酸三(1,3-二氯丙基)酯
TL;DR: 磷酸三(1,3-二氯丙基)酯 (CAS 40120-74-9) is a chemical compound with molecular formula C9H15Cl6O4P and molecular weight 427.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸三(1,3-二氯丙基)酯
tris(1,3-dichloropropyl) phosphate
Also Known As: Tris(1,3-dichloropropyl) phosphate, starbld0016334, n-benzyl-3-piperidinone, TRIS(1,3-DICHLOROPROPYL)PHOSPHATE, tri(1,3-dichloropropyl) phosphate
| Molecular Formula | C9H15Cl6O4P |
|---|---|
| Molecular Weight | 427.88 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 429.88095 |
| Heavy Atoms | 20 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 40120-74-9 |
|---|---|
| SMILES | C(CCl)C(OP(=O)(OC(CCCl)Cl)OC(CCCl)Cl)Cl |
| InChIKey | DHNUXDYAOVSGII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸三(1,3-二氯丙基)酯 (CAS 40120-74-9), with molecular formula C9H15Cl6O4P and molecular weight 427.88 g/mol. IUPAC: tris(1,3-dichloropropyl) phosphate.
Chemical Property Profile of 磷酸三(1,3-二氯丙基)酯
Property Insights of 磷酸三(1,3-二氯丙基)酯
The XLogP value of 4.6 indicates that 磷酸三(1,3-二氯丙基)酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 磷酸三(1,3-二氯丙基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸三(1,3-二氯丙基)酯 has 0 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 磷酸三(1,3-二氯丙基)酯?
The CAS number of 磷酸三(1,3-二氯丙基)酯 is 40120-74-9.
What is the molecular formula of 磷酸三(1,3-二氯丙基)酯?
The molecular formula of 磷酸三(1,3-二氯丙基)酯 is C9H15Cl6O4P.
What is the molecular weight of 磷酸三(1,3-二氯丙基)酯?
The molecular weight of 磷酸三(1,3-二氯丙基)酯 is 427.88 g/mol.
Where can I buy 磷酸三(1,3-二氯丙基)酯?
You can request a quote for 磷酸三(1,3-二氯丙基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸三(1,3-二氯丙基)酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸三(1,3-二氯丙基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.