F3394-0329
TL;DR: F3394-0329 (CAS 670273-18-4) is a chemical compound with molecular formula C33H31N3O4S3 and molecular weight 629.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dimethylphenyl)-2-[3-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]propanoylamino]thiophene-3-carboxylate
Also Known As: F3394-0329, ethyl 4-(3,4-dimethylphenyl)-2-[3-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)propanamido]thiophene-3-carboxylate, ethyl 4-(3,4-dimethylphenyl)-2-(3-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamido)thiophene-3-carboxylate, ethyl 2-(3-{12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-10-ylthio}propionylamino)-4-(3,4-xylyl)-3-thenoate, ethyl 4-(3,4-dimethylphenyl)-2-[3-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]propanoylamino]thiophene-3-carboxylate
| Molecular Formula | C33H31N3O4S3 |
|---|---|
| Molecular Weight | 629.15 g/mol |
| LogP | 7.57884 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 629.14764 |
| Heavy Atoms | 43 |
| Complexity | 1906.2942 |
Chemical Identifiers
| CAS Number | 670273-18-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CCSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3C6=CC=CC=C6 |
Product Overview
F3394-0329 (CAS 670273-18-4), with molecular formula C33H31N3O4S3 and molecular weight 629.15 g/mol. IUPAC: ethyl 4-(3,4-dimethylphenyl)-2-[3-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]propanoylamino]thiophene-3-carboxylate.
Chemical Property Profile of F3394-0329
Property Insights of F3394-0329
The XLogP value of 7.57884 indicates that F3394-0329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0329. Following Lipinski's Rule of Five, F3394-0329 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0329?
The CAS number of F3394-0329 is 670273-18-4.
What is the molecular formula of F3394-0329?
The molecular formula of F3394-0329 is C33H31N3O4S3.
What is the molecular weight of F3394-0329?
The molecular weight of F3394-0329 is 629.15 g/mol.
Where can I buy F3394-0329?
You can request a quote for F3394-0329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0329?
Yes, KEHONG BIO provides custom synthesis services for F3394-0329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.