(2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester
TL;DR: (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester (CAS 78513-08-3) is a chemical compound with molecular formula C18H17NO6 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-nitrobenzoate
Also Known As: [3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-nitrobenzoate|((2R,3S)-3-((Benzyloxy)methyl)oxiran-2-yl)methyl 4-nitrobenzoate|(2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester|[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-nitrobenzoate
| Molecular Formula | C18H17NO6 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 2.7358 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.1056 |
| Heavy Atoms | 25 |
| Complexity | 730.99133 |
Chemical Identifiers
| CAS Number | 78513-08-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCC2C(O2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester (CAS 78513-08-3), with molecular formula C18H17NO6 and molecular weight 343.11 g/mol. IUPAC: [3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-nitrobenzoate.
Chemical Property Profile of (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester
Property Insights of (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester
The XLogP value of 2.7358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester. Following Lipinski's Rule of Five, (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester 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 (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester?
The CAS number of (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester is 78513-08-3.
What is the molecular formula of (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester?
The molecular formula of (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester is C18H17NO6.
What is the molecular weight of (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester?
The molecular weight of (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester is 343.11 g/mol.
Where can I buy (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester?
You can request a quote for (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-(-)-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.