Diisopropylidene-nitrobenzoyl-galactopyranose
TL;DR: Diisopropylidene-nitrobenzoyl-galactopyranose (CAS 20688-40-8) is a chemical compound with molecular formula C19H23NO9 and molecular weight 409.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 4-nitrobenzoate
Also Known As: KST-1A2593, BAS 00926137, Diisopropylidene-nitrobenzoyl-galactopyranose, AH-034/10835056, (2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methyl 4-nitrobenzoate(non-preferred name)
| Molecular Formula | C19H23NO9 |
|---|---|
| Molecular Weight | 409.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.13727 |
| Heavy Atoms | 29 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 20688-40-8 |
|---|---|
| SMILES | CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C |
| InChIKey | IKRMVZVASOBSSJ-UHFFFAOYSA-N |
Product Overview
Diisopropylidene-nitrobenzoyl-galactopyranose (CAS 20688-40-8), with molecular formula C19H23NO9 and molecular weight 409.14 g/mol. IUPAC: (4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 4-nitrobenzoate.
Chemical Property Profile of Diisopropylidene-nitrobenzoyl-galactopyranose
Property Insights of Diisopropylidene-nitrobenzoyl-galactopyranose
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropylidene-nitrobenzoyl-galactopyranose. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisopropylidene-nitrobenzoyl-galactopyranose. Following Lipinski's Rule of Five, Diisopropylidene-nitrobenzoyl-galactopyranose has 0 hydrogen bond donor(s) and 9 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 Diisopropylidene-nitrobenzoyl-galactopyranose?
The CAS number of Diisopropylidene-nitrobenzoyl-galactopyranose is 20688-40-8.
What is the molecular formula of Diisopropylidene-nitrobenzoyl-galactopyranose?
The molecular formula of Diisopropylidene-nitrobenzoyl-galactopyranose is C19H23NO9.
What is the molecular weight of Diisopropylidene-nitrobenzoyl-galactopyranose?
The molecular weight of Diisopropylidene-nitrobenzoyl-galactopyranose is 409.14 g/mol.
Where can I buy Diisopropylidene-nitrobenzoyl-galactopyranose?
You can request a quote for Diisopropylidene-nitrobenzoyl-galactopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropylidene-nitrobenzoyl-galactopyranose?
Yes, KEHONG BIO provides custom synthesis services for Diisopropylidene-nitrobenzoyl-galactopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.