BIM-0039609.P001
TL;DR: BIM-0039609.P001 (CAS 330956-85-9) is a chemical compound with molecular formula C22H20N2O7S and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-methoxy-4-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
Also Known As: BIM-0039609.P001, methyl (2-methoxy-4-{(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate, (E)-methyl 2-(2-methoxy-4-((1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetate, METHYL 2-(2-METHOXY-4-{[(5E)-1-(4-METHOXYPHENYL)-4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)ACETATE, methyl 2-[2-methoxy-4-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
| Molecular Formula | C22H20N2O7S |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 2.0869 |
| Topological Polar Surface Area | 103.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.09912 |
| Heavy Atoms | 32 |
| Complexity | 1095.9583 |
Chemical Identifiers
| CAS Number | 330956-85-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)OC)OC)/C(=O)NC2=S |
Product Overview
BIM-0039609.P001 (CAS 330956-85-9), with molecular formula C22H20N2O7S and molecular weight 456.10 g/mol. IUPAC: methyl 2-[2-methoxy-4-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of BIM-0039609.P001
Property Insights of BIM-0039609.P001
The XLogP value of 2.0869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0039609.P001. The TPSA of 103.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039609.P001. Following Lipinski's Rule of Five, BIM-0039609.P001 has 1 hydrogen bond donor(s) and 8 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-0039609.P001?
The CAS number of BIM-0039609.P001 is 330956-85-9.
What is the molecular formula of BIM-0039609.P001?
The molecular formula of BIM-0039609.P001 is C22H20N2O7S.
What is the molecular weight of BIM-0039609.P001?
The molecular weight of BIM-0039609.P001 is 456.10 g/mol.
Where can I buy BIM-0039609.P001?
You can request a quote for BIM-0039609.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039609.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039609.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.