F3394-1382
TL;DR: F3394-1382 (CAS 690644-59-8) is a chemical compound with molecular formula C30H30ClN3O4S3 and molecular weight 627.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-2-[3-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxylate
Also Known As: F3394-1382, ethyl 4-(4-chlorophenyl)-2-(3-{[11-methyl-3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}propanamido)thiophene-3-carboxylate, ethyl 2-(3-((3-allyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamido)-4-(4-chlorophenyl)thiophene-3-carboxylate, ethyl 4-(4-chlorophenyl)-2-[3-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxylate, ethyl 2-[3-(3-allyl-7-methyl-4-oxo-9-thia-1,3-diaza-3,4,5,6,7,8-hexahydro-2-fluorenylthio)propionylamino]-4-(p-chlorophenyl)-3-thenoate
| Molecular Formula | C30H30ClN3O4S3 |
|---|---|
| Molecular Weight | 627.11 g/mol |
| LogP | 7.4483 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 627.1087 |
| Heavy Atoms | 41 |
| Complexity | 1672.8984 |
Chemical Identifiers
| CAS Number | 690644-59-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CCSC3=NC4=C(C5=C(S4)CC(CC5)C)C(=O)N3CC=C |
Product Overview
F3394-1382 (CAS 690644-59-8), with molecular formula C30H30ClN3O4S3 and molecular weight 627.11 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-2-[3-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxylate.
Chemical Property Profile of F3394-1382
Property Insights of F3394-1382
The XLogP value of 7.4483 indicates that F3394-1382 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 F3394-1382. Following Lipinski's Rule of Five, F3394-1382 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 F3394-1382?
The CAS number of F3394-1382 is 690644-59-8.
What is the molecular formula of F3394-1382?
The molecular formula of F3394-1382 is C30H30ClN3O4S3.
What is the molecular weight of F3394-1382?
The molecular weight of F3394-1382 is 627.11 g/mol.
Where can I buy F3394-1382?
You can request a quote for F3394-1382 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-1382?
Yes, KEHONG BIO provides custom synthesis services for F3394-1382 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.