BIM-0029969.P001
TL;DR: BIM-0029969.P001 (CAS 306756-18-3) is a chemical compound with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate
Also Known As: BIM-0029969.P001, methyl 4-[(E)-(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate, methyl 4-[(E)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate, ME 4-(2-(((4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)CARBOHYDRAZONOYL)BENZOATE, (E)-methyl 4-((2-(2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate
| Molecular Formula | C25H21N5O3S |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 3.9633 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.1365 |
| Heavy Atoms | 34 |
| Complexity | 1289.4027 |
Chemical Identifiers
| CAS Number | 306756-18-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
BIM-0029969.P001 (CAS 306756-18-3), with molecular formula C25H21N5O3S and molecular weight 471.14 g/mol. IUPAC: methyl 4-[(E)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of BIM-0029969.P001
Property Insights of BIM-0029969.P001
The XLogP value of 3.9633 indicates that BIM-0029969.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0029969.P001. Following Lipinski's Rule of Five, BIM-0029969.P001 has 1 hydrogen bond donor(s) and 7 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-0029969.P001?
The CAS number of BIM-0029969.P001 is 306756-18-3.
What is the molecular formula of BIM-0029969.P001?
The molecular formula of BIM-0029969.P001 is C25H21N5O3S.
What is the molecular weight of BIM-0029969.P001?
The molecular weight of BIM-0029969.P001 is 471.14 g/mol.
Where can I buy BIM-0029969.P001?
You can request a quote for BIM-0029969.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0029969.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0029969.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.