F0772-0702
TL;DR: F0772-0702 (CAS 309968-83-0) is a chemical compound with molecular formula C27H27N5O6S2 and molecular weight 581.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-(2,5-dimethoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0772-0702, ethyl 4-(2-{[4-(2,5-dimethoxyphenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-(2-((4-(2,5-dimethoxyphenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[4-(2,5-dimethoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C27H27N5O6S2 |
|---|---|
| Molecular Weight | 581.14 g/mol |
| LogP | 4.1835 |
| Topological Polar Surface Area | 133.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 581.14026 |
| Heavy Atoms | 40 |
| Complexity | 1471.3179 |
Chemical Identifiers
| CAS Number | 309968-83-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)CNC(=O)C4=CC=CS4 |
Product Overview
F0772-0702 (CAS 309968-83-0), with molecular formula C27H27N5O6S2 and molecular weight 581.14 g/mol. IUPAC: ethyl 4-[[2-[[4-(2,5-dimethoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0772-0702
Property Insights of F0772-0702
The XLogP value of 4.1835 indicates that F0772-0702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.67 Ų falls within the moderate polarity range, balancing permeability and solubility for F0772-0702. Following Lipinski's Rule of Five, F0772-0702 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0772-0702?
The CAS number of F0772-0702 is 309968-83-0.
What is the molecular formula of F0772-0702?
The molecular formula of F0772-0702 is C27H27N5O6S2.
What is the molecular weight of F0772-0702?
The molecular weight of F0772-0702 is 581.14 g/mol.
Where can I buy F0772-0702?
You can request a quote for F0772-0702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0702?
Yes, KEHONG BIO provides custom synthesis services for F0772-0702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.