BIM-0039334.P001
TL;DR: BIM-0039334.P001 (CAS 309925-93-7) is a chemical compound with molecular formula C20H15BrN2O6S and molecular weight 489.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
Also Known As: BIM-0039334.P001, (4-{(E)-[1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid, (E)-2-(4-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxyphenoxy)acetic acid, 2-(4-{[(5E)-1-(4-BROMOPHENYL)-4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE]METHYL}-2-METHOXYPHENOXY)ACETIC ACID, 2-[4-[(E)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
| Molecular Formula | C20H15BrN2O6S |
|---|---|
| Molecular Weight | 489.98 g/mol |
| LogP | 2.7524 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.98343 |
| Heavy Atoms | 30 |
| Complexity | 1067.4664 |
Chemical Identifiers
| CAS Number | 309925-93-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)OCC(=O)O |
Product Overview
BIM-0039334.P001 (CAS 309925-93-7), with molecular formula C20H15BrN2O6S and molecular weight 489.98 g/mol. IUPAC: 2-[4-[(E)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of BIM-0039334.P001
Property Insights of BIM-0039334.P001
The XLogP value of 2.7524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0039334.P001. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039334.P001. Following Lipinski's Rule of Five, BIM-0039334.P001 has 2 hydrogen bond donor(s) and 6 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 BIM-0039334.P001?
The CAS number of BIM-0039334.P001 is 309925-93-7.
What is the molecular formula of BIM-0039334.P001?
The molecular formula of BIM-0039334.P001 is C20H15BrN2O6S.
What is the molecular weight of BIM-0039334.P001?
The molecular weight of BIM-0039334.P001 is 489.98 g/mol.
Where can I buy BIM-0039334.P001?
You can request a quote for BIM-0039334.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039334.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039334.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.