Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)-
TL;DR: Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- (CAS 98973-78-5) is a chemical compound with molecular formula C22H24O3 and molecular weight 336.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzylfuran-3-yl)methyl (1R,6R,7S)-3,6-dimethylbicyclo[4.1.0]hept-2-ene-7-carboxylate
Also Known As: Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)-, (5-benzylfuran-3-yl)methyl (1R,6R,7S)-3,6-dimethylbicyclo[4.1.0]hept-2-ene-7-carboxylate, (5-benzyl-3-furyl)methyl (1R,6S,7S)-1,4-dimethylbicyclo[4.1.0]hept-4-ene-7-carboxylate, (5-benzylfuran-3-yl)methyl 3,6-dimethylbicyclo[4.1.0]hept-2-ene-7-carboxylate
| Molecular Formula | C22H24O3 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.17255 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 98973-78-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@@H]([C@@]2(CC1)C)C(=O)OCC3=COC(=C3)CC4=CC=CC=C4 |
| InChIKey | BESSHWBHAVHMGL-KCZVDYSFSA-N |
Product Overview
Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- (CAS 98973-78-5), with molecular formula C22H24O3 and molecular weight 336.17 g/mol. IUPAC: (5-benzylfuran-3-yl)methyl (1R,6R,7S)-3,6-dimethylbicyclo[4.1.0]hept-2-ene-7-carboxylate.
Chemical Property Profile of Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)-
Property Insights of Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)-
The XLogP value of 4.4 indicates that Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- has 0 hydrogen bond donor(s) and 3 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 Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)-?
The CAS number of Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- is 98973-78-5.
What is the molecular formula of Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)-?
The molecular formula of Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- is C22H24O3.
What is the molecular weight of Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)-?
The molecular weight of Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- is 336.17 g/mol.
Where can I buy Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)-?
You can request a quote for Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, 3,6-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1alpha,6alpha,7beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.