Bis(3-chloropropyl)(3-chloropropyl)phosphonate
TL;DR: Bis(3-chloropropyl)(3-chloropropyl)phosphonate (CAS 69651-80-5) is a chemical compound with molecular formula C9H18Cl3O3P and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-[3-chloropropoxy(3-chloropropyl)phosphoryl]oxypropane
Also Known As: bis(3-chloropropyl)(3-chloropropyl)phosphonate, bis(3-chloropropyl) (3-chloropropyl)phosphonate, 1-chloro-3-[3-chloropropoxy(3-chloropropyl)phosphoryl]oxypropane, Phosphonic acid,(3-chloropropyl)-, bis(3-chloropropyl) ester (8CI,9CI)
| Molecular Formula | C9H18Cl3O3P |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 310.00592 |
| Heavy Atoms | 16 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 69651-80-5 |
|---|---|
| SMILES | C(COP(=O)(CCCCl)OCCCCl)CCl |
| InChIKey | WKPXTOGCKNVHBO-UHFFFAOYSA-N |
Product Overview
Bis(3-chloropropyl)(3-chloropropyl)phosphonate (CAS 69651-80-5), with molecular formula C9H18Cl3O3P and molecular weight 310.01 g/mol. IUPAC: 1-chloro-3-[3-chloropropoxy(3-chloropropyl)phosphoryl]oxypropane.
Chemical Property Profile of Bis(3-chloropropyl)(3-chloropropyl)phosphonate
Property Insights of Bis(3-chloropropyl)(3-chloropropyl)phosphonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(3-chloropropyl)(3-chloropropyl)phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Bis(3-chloropropyl)(3-chloropropyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3-chloropropyl)(3-chloropropyl)phosphonate has 0 hydrogen bond donor(s) and 3 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 Bis(3-chloropropyl)(3-chloropropyl)phosphonate?
The CAS number of Bis(3-chloropropyl)(3-chloropropyl)phosphonate is 69651-80-5.
What is the molecular formula of Bis(3-chloropropyl)(3-chloropropyl)phosphonate?
The molecular formula of Bis(3-chloropropyl)(3-chloropropyl)phosphonate is C9H18Cl3O3P.
What is the molecular weight of Bis(3-chloropropyl)(3-chloropropyl)phosphonate?
The molecular weight of Bis(3-chloropropyl)(3-chloropropyl)phosphonate is 310.01 g/mol.
Where can I buy Bis(3-chloropropyl)(3-chloropropyl)phosphonate?
You can request a quote for Bis(3-chloropropyl)(3-chloropropyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-chloropropyl)(3-chloropropyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-chloropropyl)(3-chloropropyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.