AN-329/41770226
TL;DR: AN-329/41770226 (CAS 649565-75-3) is a chemical compound with molecular formula C20H22N2O5S2 and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-methoxyphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/41770226, methyl 2-({[(4-methoxyphenoxy)acetyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[({[(4-methoxyphenoxy)acetyl]amino}carbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[2-(4-methoxyphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[({[(4-methoxyphenoxy)acetyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H22N2O5S2 |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 3.3141 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.09702 |
| Heavy Atoms | 29 |
| Complexity | 908.3405 |
Chemical Identifiers
| CAS Number | 649565-75-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
AN-329/41770226 (CAS 649565-75-3), with molecular formula C20H22N2O5S2 and molecular weight 434.10 g/mol. IUPAC: methyl 2-[[2-(4-methoxyphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/41770226
Property Insights of AN-329/41770226
The XLogP value of 3.3141 indicates that AN-329/41770226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/41770226. Following Lipinski's Rule of Five, AN-329/41770226 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-329/41770226?
The CAS number of AN-329/41770226 is 649565-75-3.
What is the molecular formula of AN-329/41770226?
The molecular formula of AN-329/41770226 is C20H22N2O5S2.
What is the molecular weight of AN-329/41770226?
The molecular weight of AN-329/41770226 is 434.10 g/mol.
Where can I buy AN-329/41770226?
You can request a quote for AN-329/41770226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41770226?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41770226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.