BIM-0004657.P001
TL;DR: BIM-0004657.P001 (CAS 6170-10-1) is a chemical compound with molecular formula C27H22N2O6S and molecular weight 502.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Also Known As: BIM-0004657.P001, 3-[(4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenoxy)methyl]benzoic acid, 3-[(4-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid, 3-[[4-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid, 3-[(4-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)methyl]benzoic acid
| Molecular Formula | C27H22N2O6S |
|---|---|
| Molecular Weight | 502.12 g/mol |
| LogP | 4.1938 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.11984 |
| Heavy Atoms | 36 |
| Complexity | 1349.4366 |
Chemical Identifiers
| CAS Number | 6170-10-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC(=CC=C4)C(=O)O)/C(=O)NC2=S |
Product Overview
BIM-0004657.P001 (CAS 6170-10-1), with molecular formula C27H22N2O6S and molecular weight 502.12 g/mol. IUPAC: 3-[[4-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of BIM-0004657.P001
Property Insights of BIM-0004657.P001
The XLogP value of 4.1938 indicates that BIM-0004657.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0004657.P001. Following Lipinski's Rule of Five, BIM-0004657.P001 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0004657.P001?
The CAS number of BIM-0004657.P001 is 6170-10-1.
What is the molecular formula of BIM-0004657.P001?
The molecular formula of BIM-0004657.P001 is C27H22N2O6S.
What is the molecular weight of BIM-0004657.P001?
The molecular weight of BIM-0004657.P001 is 502.12 g/mol.
Where can I buy BIM-0004657.P001?
You can request a quote for BIM-0004657.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0004657.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0004657.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.