AN-023/41876414
TL;DR: AN-023/41876414 (CAS 723750-67-2) is a chemical compound with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(E)-[1-(2-methoxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
Also Known As: AN-023/41876414, (E)-4-(3-((1-(2-Methoxyethyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 4-[3-[(E)-[1-(2-methoxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid, 4-{3-[(1-(2-methoxyethyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid, 4-(3-((1-(2-Methoxyethyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
| Molecular Formula | C21H21N3O5S |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 2.06544 |
| Topological Polar Surface Area | 100.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.12018 |
| Heavy Atoms | 30 |
| Complexity | 1069.0562 |
Chemical Identifiers
| CAS Number | 723750-67-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C/3\C(=O)NC(=S)N(C3=O)CCOC |
Product Overview
AN-023/41876414 (CAS 723750-67-2), with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol. IUPAC: 4-[3-[(E)-[1-(2-methoxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid.
Chemical Property Profile of AN-023/41876414
Property Insights of AN-023/41876414
The XLogP value of 2.06544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-023/41876414. The TPSA of 100.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-023/41876414. Following Lipinski's Rule of Five, AN-023/41876414 has 2 hydrogen bond donor(s) and 5 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-023/41876414?
The CAS number of AN-023/41876414 is 723750-67-2.
What is the molecular formula of AN-023/41876414?
The molecular formula of AN-023/41876414 is C21H21N3O5S.
What is the molecular weight of AN-023/41876414?
The molecular weight of AN-023/41876414 is 427.12 g/mol.
Where can I buy AN-023/41876414?
You can request a quote for AN-023/41876414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/41876414?
Yes, KEHONG BIO provides custom synthesis services for AN-023/41876414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.