1,4-Dihydrobenzoesaeure-ethylester
TL;DR: 1,4-Dihydrobenzoesaeure-ethylester (CAS 34761-63-2) is a chemical compound with molecular formula C30H35FN2O3 and molecular weight 490.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]ethanone
Also Known As: 1,4-Dihydrobenzoesaeure-ethylester, KST-1B3410, 1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-7-(4-fluorophenyl)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]ethanone, 1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-7-(4-fluorophenyl)-1,1, 1-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]ethanone
| Molecular Formula | C30H35FN2O3 |
|---|---|
| Molecular Weight | 490.26 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 490.26318 |
| Heavy Atoms | 36 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 34761-63-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)C)C=NN5C6=CC=C(C=C6)F)C |
| InChIKey | REDLYOWJSWINBB-DUIWYZBESA-N |
Product Overview
1,4-Dihydrobenzoesaeure-ethylester (CAS 34761-63-2), with molecular formula C30H35FN2O3 and molecular weight 490.26 g/mol. IUPAC: 1-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]ethanone.
Chemical Property Profile of 1,4-Dihydrobenzoesaeure-ethylester
Property Insights of 1,4-Dihydrobenzoesaeure-ethylester
The XLogP value of 4.1 indicates that 1,4-Dihydrobenzoesaeure-ethylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydrobenzoesaeure-ethylester. Following Lipinski's Rule of Five, 1,4-Dihydrobenzoesaeure-ethylester has 2 hydrogen bond donor(s) and 5 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 1,4-Dihydrobenzoesaeure-ethylester?
The CAS number of 1,4-Dihydrobenzoesaeure-ethylester is 34761-63-2.
What is the molecular formula of 1,4-Dihydrobenzoesaeure-ethylester?
The molecular formula of 1,4-Dihydrobenzoesaeure-ethylester is C30H35FN2O3.
What is the molecular weight of 1,4-Dihydrobenzoesaeure-ethylester?
The molecular weight of 1,4-Dihydrobenzoesaeure-ethylester is 490.26 g/mol.
Where can I buy 1,4-Dihydrobenzoesaeure-ethylester?
You can request a quote for 1,4-Dihydrobenzoesaeure-ethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydrobenzoesaeure-ethylester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydrobenzoesaeure-ethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.