F0554-0729
TL;DR: F0554-0729 (CAS 6229-44-3) is a chemical compound with molecular formula C30H29Cl2N3O4S2 and molecular weight 629.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[1-[2-[(2,4-dichlorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0554-0729, ethyl 2-[[2-[1-[2-[(2,4-dichlorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{2-[(1-{2-[(2,4-dichlorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((1-(2-(2,4-dichlorobenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 2,4-Dichloro-N-(2-{3-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}-2-hydroxyethyl)sulfanyl]-1H-indol-1-yl}ethyl)benzene-1-carboximidic acid
| Molecular Formula | C30H29Cl2N3O4S2 |
|---|---|
| Molecular Weight | 629.10 g/mol |
| LogP | 7.2259 |
| Topological Polar Surface Area | 89.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 629.09766 |
| Heavy Atoms | 41 |
| Complexity | 1614.7539 |
Chemical Identifiers
| CAS Number | 6229-44-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=C(C=C(C=C5)Cl)Cl |
Product Overview
F0554-0729 (CAS 6229-44-3), with molecular formula C30H29Cl2N3O4S2 and molecular weight 629.10 g/mol. IUPAC: ethyl 2-[[2-[1-[2-[(2,4-dichlorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0554-0729
Property Insights of F0554-0729
The XLogP value of 7.2259 indicates that F0554-0729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.43 Ų falls within the moderate polarity range, balancing permeability and solubility for F0554-0729. Following Lipinski's Rule of Five, F0554-0729 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0554-0729?
The CAS number of F0554-0729 is 6229-44-3.
What is the molecular formula of F0554-0729?
The molecular formula of F0554-0729 is C30H29Cl2N3O4S2.
What is the molecular weight of F0554-0729?
The molecular weight of F0554-0729 is 629.10 g/mol.
Where can I buy F0554-0729?
You can request a quote for F0554-0729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0554-0729?
Yes, KEHONG BIO provides custom synthesis services for F0554-0729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.