AN-329/42100999
TL;DR: AN-329/42100999 (CAS 587850-46-2) is a chemical compound with molecular formula C19H20BrN3O3S and molecular weight 449.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-methylbenzamide
Also Known As: AN-329/42100999, 3-bromo-N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)-4-methylbenzamide, 3-bromo-N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazino}carbothioyl)-4-methylbenzamide, 3-bromo-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-methylbenzamide, 3-bromo-N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazinyl}carbonothioyl)-4-methylbenzamide
| Molecular Formula | C19H20BrN3O3S |
|---|---|
| Molecular Weight | 449.04 g/mol |
| LogP | 3.08886 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.0409 |
| Heavy Atoms | 27 |
| Complexity | 886.4988 |
Chemical Identifiers
| CAS Number | 587850-46-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)Br)C |
Product Overview
AN-329/42100999 (CAS 587850-46-2), with molecular formula C19H20BrN3O3S and molecular weight 449.04 g/mol. IUPAC: 3-bromo-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of AN-329/42100999
Property Insights of AN-329/42100999
The XLogP value of 3.08886 indicates that AN-329/42100999 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42100999. Following Lipinski's Rule of Five, AN-329/42100999 has 3 hydrogen bond donor(s) and 4 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-329/42100999?
The CAS number of AN-329/42100999 is 587850-46-2.
What is the molecular formula of AN-329/42100999?
The molecular formula of AN-329/42100999 is C19H20BrN3O3S.
What is the molecular weight of AN-329/42100999?
The molecular weight of AN-329/42100999 is 449.04 g/mol.
Where can I buy AN-329/42100999?
You can request a quote for AN-329/42100999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42100999?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42100999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.