![[4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate structure](/static/products/7595/7595-88-2.webp)
[4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate
TL;DR: [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate (CAS 7595-88-2) is a chemical compound with molecular formula C14H15ClO6 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-3-(acetyloxymethyl)-5-chlorophenyl]methyl acetate
Also Known As: [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate|[4-acetyloxy-3-(acetyloxymethyl)-5-chlorophenyl]methyl aceta|[4-acetyloxy-3-(acetyloxymethyl)-5-chlorophenyl]methyl acetate
| Molecular Formula | C14H15ClO6 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.05573 |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 7595-88-2 |
|---|---|
| SMILES | CC(=O)OCC1=CC(=C(C(=C1)Cl)OC(=O)C)COC(=O)C |
| InChIKey | MWRDUZNZGWCUIO-UHFFFAOYSA-N |
Product Overview
[4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate (CAS 7595-88-2), with molecular formula C14H15ClO6 and molecular weight 314.06 g/mol. IUPAC: [4-acetyloxy-3-(acetyloxymethyl)-5-chlorophenyl]methyl acetate.
Chemical Property Profile of [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate
Property Insights of [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate. Following Lipinski's Rule of Five, [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate has 0 hydrogen bond donor(s) and 6 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 [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate?
The CAS number of [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate is 7595-88-2.
What is the molecular formula of [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate?
The molecular formula of [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate is C14H15ClO6.
What is the molecular weight of [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate?
The molecular weight of [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate is 314.06 g/mol.
Where can I buy [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate?
You can request a quote for [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate?
Yes, KEHONG BIO provides custom synthesis services for [4-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene) diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.