BIM-0009647.P001
TL;DR: BIM-0009647.P001 (CAS 330956-54-2) is a chemical compound with molecular formula C26H19ClN2O6S and molecular weight 522.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
Also Known As: BIM-0009647.P001, (E)-4-((4-((1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxyphenoxy)methyl)benzoic acid, 4-[(4-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid, 4-[(4-{[(5E)-1-(4-CHLOROPHENYL)-4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE]METHYL}-2-METHOXYPHENOXY)METHYL]BENZOIC ACID, 4-[[4-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
| Molecular Formula | C26H19ClN2O6S |
|---|---|
| Molecular Weight | 522.07 g/mol |
| LogP | 4.4571 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.06525 |
| Heavy Atoms | 36 |
| Complexity | 1386.5482 |
Chemical Identifiers
| CAS Number | 330956-54-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)C(=O)O |
Product Overview
BIM-0009647.P001 (CAS 330956-54-2), with molecular formula C26H19ClN2O6S and molecular weight 522.07 g/mol. IUPAC: 4-[[4-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of BIM-0009647.P001
Property Insights of BIM-0009647.P001
The XLogP value of 4.4571 indicates that BIM-0009647.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-0009647.P001. Following Lipinski's Rule of Five, BIM-0009647.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-0009647.P001?
The CAS number of BIM-0009647.P001 is 330956-54-2.
What is the molecular formula of BIM-0009647.P001?
The molecular formula of BIM-0009647.P001 is C26H19ClN2O6S.
What is the molecular weight of BIM-0009647.P001?
The molecular weight of BIM-0009647.P001 is 522.07 g/mol.
Where can I buy BIM-0009647.P001?
You can request a quote for BIM-0009647.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0009647.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0009647.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.