Dipropan-2-yl 2,3-dichlorobutanedioate
TL;DR: Dipropan-2-yl 2,3-dichlorobutanedioate (CAS 6698-57-3) is a chemical compound with molecular formula C10H16Cl2O4 and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 2,3-dichlorobutanedioate
Also Known As: dipropan-2-yl 2,3-dichlorobutanedioate, Di(propan-2-yl) 2,3-dichlorobutanedioate, Carbamic acid,dimethyl-,4,5-dihydro-5-methyl-3-isoxazolyl ester
| Molecular Formula | C10H16Cl2O4 |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.04257 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 6698-57-3 |
|---|---|
| SMILES | CC(C)OC(=O)C(C(C(=O)OC(C)C)Cl)Cl |
| InChIKey | VYKYVJZVYXYSET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dipropan-2-yl 2,3-dichlorobutanedioate (CAS 6698-57-3), with molecular formula C10H16Cl2O4 and molecular weight 270.04 g/mol. IUPAC: dipropan-2-yl 2,3-dichlorobutanedioate.
Chemical Property Profile of Dipropan-2-yl 2,3-dichlorobutanedioate
Property Insights of Dipropan-2-yl 2,3-dichlorobutanedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dipropan-2-yl 2,3-dichlorobutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dipropan-2-yl 2,3-dichlorobutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dipropan-2-yl 2,3-dichlorobutanedioate 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 Dipropan-2-yl 2,3-dichlorobutanedioate?
The CAS number of Dipropan-2-yl 2,3-dichlorobutanedioate is 6698-57-3.
What is the molecular formula of Dipropan-2-yl 2,3-dichlorobutanedioate?
The molecular formula of Dipropan-2-yl 2,3-dichlorobutanedioate is C10H16Cl2O4.
What is the molecular weight of Dipropan-2-yl 2,3-dichlorobutanedioate?
The molecular weight of Dipropan-2-yl 2,3-dichlorobutanedioate is 270.04 g/mol.
Where can I buy Dipropan-2-yl 2,3-dichlorobutanedioate?
You can request a quote for Dipropan-2-yl 2,3-dichlorobutanedioate 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 2,3-dichlorobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dipropan-2-yl 2,3-dichlorobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.