Dipropan-2-yl benzylphosphonate
TL;DR: Dipropan-2-yl benzylphosphonate (CAS 1083-98-3) is a chemical compound with molecular formula C13H21O3P and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
di(propan-2-yloxy)phosphorylmethylbenzene
Also Known As: dipropan-2-yl benzylphosphonate, di(propan-2-yloxy)phosphorylmethylbenzene, Di(propan-2-yl) benzylphosphonate, Benzylphosphonic acid diisopropyl ester, bis(propan-2-yl) benzylphosphonate
| Molecular Formula | C13H21O3P |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.12283 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 1083-98-3 |
|---|---|
| SMILES | CC(C)OP(=O)(CC1=CC=CC=C1)OC(C)C |
| InChIKey | VULUBVNRKILAME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dipropan-2-yl benzylphosphonate (CAS 1083-98-3), with molecular formula C13H21O3P and molecular weight 256.12 g/mol. IUPAC: di(propan-2-yloxy)phosphorylmethylbenzene.
Chemical Property Profile of Dipropan-2-yl benzylphosphonate
Property Insights of Dipropan-2-yl benzylphosphonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dipropan-2-yl benzylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dipropan-2-yl benzylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dipropan-2-yl benzylphosphonate 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 Dipropan-2-yl benzylphosphonate?
The CAS number of Dipropan-2-yl benzylphosphonate is 1083-98-3.
What is the molecular formula of Dipropan-2-yl benzylphosphonate?
The molecular formula of Dipropan-2-yl benzylphosphonate is C13H21O3P.
What is the molecular weight of Dipropan-2-yl benzylphosphonate?
The molecular weight of Dipropan-2-yl benzylphosphonate is 256.12 g/mol.
Where can I buy Dipropan-2-yl benzylphosphonate?
You can request a quote for Dipropan-2-yl benzylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipropan-2-yl benzylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dipropan-2-yl benzylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.