AN-329/42100993
TL;DR: AN-329/42100993 (CAS 587850-41-7) is a chemical compound with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-3,4,5-trimethoxybenzamide
Also Known As: AN-329/42100993, N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)-3,4,5-trimethoxybenzamide, N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazino}carbothioyl)-3,4,5-trimethoxybenzamide, N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-3,4,5-trimethoxybenzamide, N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazinyl}carbonothioyl)-3,4,5-trimethoxybenzamide
| Molecular Formula | C21H25N3O6S |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 2.04374 |
| Topological Polar Surface Area | 107.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1464 |
| Heavy Atoms | 31 |
| Complexity | 954.5777 |
Chemical Identifiers
| CAS Number | 587850-41-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C |
Product Overview
AN-329/42100993 (CAS 587850-41-7), with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol. IUPAC: N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of AN-329/42100993
Property Insights of AN-329/42100993
The XLogP value of 2.04374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/42100993. The TPSA of 107.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42100993. Following Lipinski's Rule of Five, AN-329/42100993 has 3 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-329/42100993?
The CAS number of AN-329/42100993 is 587850-41-7.
What is the molecular formula of AN-329/42100993?
The molecular formula of AN-329/42100993 is C21H25N3O6S.
What is the molecular weight of AN-329/42100993?
The molecular weight of AN-329/42100993 is 447.15 g/mol.
Where can I buy AN-329/42100993?
You can request a quote for AN-329/42100993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42100993?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42100993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.