ChemDiv1_014120
TL;DR: ChemDiv1_014120 (CAS 393817-18-0) is a chemical compound with molecular formula C29H30FN5O5S2 and molecular weight 611.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[4-(4-fluorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ChemDiv1_014120, F0520-3288, ethyl 2-(2-((4-(4-fluorophenyl)-5-((furan-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-(2-{[4-(4-FLUOROPHENYL)-5-{[(FURAN-2-YL)FORMAMIDO]METHYL}-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}PROPANAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-[2-[[4-(4-fluorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C29H30FN5O5S2 |
|---|---|
| Molecular Weight | 611.17 g/mol |
| LogP | 5.5558 |
| Topological Polar Surface Area | 128.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 611.16724 |
| Heavy Atoms | 42 |
| Complexity | 1565.686 |
Chemical Identifiers
| CAS Number | 393817-18-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC=CO5 |
Product Overview
ChemDiv1_014120 (CAS 393817-18-0), with molecular formula C29H30FN5O5S2 and molecular weight 611.17 g/mol. IUPAC: ethyl 2-[2-[[4-(4-fluorophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_014120
Property Insights of ChemDiv1_014120
The XLogP value of 5.5558 indicates that ChemDiv1_014120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014120. Following Lipinski's Rule of Five, ChemDiv1_014120 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014120?
The CAS number of ChemDiv1_014120 is 393817-18-0.
What is the molecular formula of ChemDiv1_014120?
The molecular formula of ChemDiv1_014120 is C29H30FN5O5S2.
What is the molecular weight of ChemDiv1_014120?
The molecular weight of ChemDiv1_014120 is 611.17 g/mol.
Where can I buy ChemDiv1_014120?
You can request a quote for ChemDiv1_014120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014120?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.