3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate
TL;DR: 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate (CAS 98973-74-1) is a chemical compound with molecular formula C24H20O3 and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
Also Known As: 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate, (3-phenoxyphenyl)methyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate, (3-Phenoxyphenyl)methyl 1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
| Molecular Formula | C24H20O3 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.14124 |
| Heavy Atoms | 27 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 98973-74-1 |
|---|---|
| SMILES | C1[C@H]2[C@H]([C@H]2C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C51 |
| InChIKey | XTNDQTOUIZBZCD-ZRBLBEILSA-N |
Product Overview
3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate (CAS 98973-74-1), with molecular formula C24H20O3 and molecular weight 356.14 g/mol. IUPAC: (3-phenoxyphenyl)methyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate.
Chemical Property Profile of 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate
Property Insights of 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate
The XLogP value of 4.9 indicates that 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate 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 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate?
The CAS number of 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate is 98973-74-1.
What is the molecular formula of 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate?
The molecular formula of 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate is C24H20O3.
What is the molecular weight of 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate?
The molecular weight of 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate is 356.14 g/mol.
Where can I buy 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate?
You can request a quote for 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenoxybenzyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa(a)indene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.