NCIOpen2_007129
TL;DR: NCIOpen2_007129 (CAS 951887-40-4) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate
Also Known As: NCIOpen2_007129, 5-o-benzoyl-1,2-o-(1-methylethylidene)pentofuranose, (6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate, 2-CHLORO-3-(1-NAPHTHYL)-1-PROPENE, 4,4'-Carbonyldiphthalic acid,dimagnesium salt
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 951887-40-4 |
|---|---|
| SMILES | CC1(OC2C(C(OC2O1)COC(=O)C3=CC=CC=C3)O)C |
| InChIKey | WKRBIHIDJVMVGS-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007129 (CAS 951887-40-4), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: (6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate.
Chemical Property Profile of NCIOpen2_007129
Property Insights of NCIOpen2_007129
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_007129. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007129. Following Lipinski's Rule of Five, NCIOpen2_007129 has 1 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 NCIOpen2_007129?
The CAS number of NCIOpen2_007129 is 951887-40-4.
What is the molecular formula of NCIOpen2_007129?
The molecular formula of NCIOpen2_007129 is C15H18O6.
What is the molecular weight of NCIOpen2_007129?
The molecular weight of NCIOpen2_007129 is 294.11 g/mol.
Where can I buy NCIOpen2_007129?
You can request a quote for NCIOpen2_007129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007129?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.