RefChem:118428
TL;DR: RefChem:118428 (CAS 61442-40-8) is a chemical compound with molecular formula C14H19NO6Si and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yloxy)benzoate
Also Known As: 1-(p-Karbometoksyfenoksy)silatranu, 1-(p-Karbometoksyfenoksy)silatranu [Polish], Benzoic acid, 4-(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undec-1-yloxy)-, methyl ester, 4-(2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undec-1-yloxy)benzoic acid methyl ester, Benzoic acid, 4-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-yloxy)-, methyl ester
| Molecular Formula | C14H19NO6Si |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 0.67 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.09818 |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 61442-40-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)O[Si]23OCCN(CCO2)CCO3 |
| InChIKey | PZCMIPXUEBAZAS-UHFFFAOYSA-N |
Product Overview
RefChem:118428 (CAS 61442-40-8), with molecular formula C14H19NO6Si and molecular weight 325.10 g/mol. IUPAC: methyl 4-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yloxy)benzoate.
Chemical Property Profile of RefChem:118428
Property Insights of RefChem:118428
The XLogP value of 0.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118428. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118428. Following Lipinski's Rule of Five, RefChem:118428 has 0 hydrogen bond donor(s) and 7 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 RefChem:118428?
The CAS number of RefChem:118428 is 61442-40-8.
What is the molecular formula of RefChem:118428?
The molecular formula of RefChem:118428 is C14H19NO6Si.
What is the molecular weight of RefChem:118428?
The molecular weight of RefChem:118428 is 325.10 g/mol.
Where can I buy RefChem:118428?
You can request a quote for RefChem:118428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118428?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.