F0545-0231
TL;DR: F0545-0231 (CAS 681275-12-7) is a chemical compound with molecular formula C29H29FN2O3S2 and molecular weight 536.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0545-0231, ethyl 2-[2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((1-(4-fluorobenzyl)-1H-indol-3-yl)thio)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C29H29FN2O3S2 |
|---|---|
| Molecular Weight | 536.16 g/mol |
| LogP | 7.065 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.16034 |
| Heavy Atoms | 37 |
| Complexity | 1441.6351 |
Chemical Identifiers
| CAS Number | 681275-12-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F |
Product Overview
F0545-0231 (CAS 681275-12-7), with molecular formula C29H29FN2O3S2 and molecular weight 536.16 g/mol. IUPAC: ethyl 2-[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0545-0231
Property Insights of F0545-0231
The XLogP value of 7.065 indicates that F0545-0231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for F0545-0231. Following Lipinski's Rule of Five, F0545-0231 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0545-0231?
The CAS number of F0545-0231 is 681275-12-7.
What is the molecular formula of F0545-0231?
The molecular formula of F0545-0231 is C29H29FN2O3S2.
What is the molecular weight of F0545-0231?
The molecular weight of F0545-0231 is 536.16 g/mol.
Where can I buy F0545-0231?
You can request a quote for F0545-0231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0231?
Yes, KEHONG BIO provides custom synthesis services for F0545-0231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.