BIM-0038307.P001
TL;DR: BIM-0038307.P001 (CAS 312500-69-9) is a chemical compound with molecular formula C17H13Cl2N3O3S and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate
Also Known As: BIM-0038307.P001, A1898/0079686, methyl 2-[[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate, methyl 2-(((5-(2,4-dichlorophenyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl)methyl)amino)benzoate, METHYL 2-({[5-(2,4-DICHLOROPHENYL)-2-SULFANYLIDENE-2,3-DIHYDRO-1,3,4-OXADIAZOL-3-YL]METHYL}AMINO)BENZOATE
| Molecular Formula | C17H13Cl2N3O3S |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 5.03559 |
| Topological Polar Surface Area | 69.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.00546 |
| Heavy Atoms | 26 |
| Complexity | 1016.48285 |
Chemical Identifiers
| CAS Number | 312500-69-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NCN2C(=S)OC(=N2)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
BIM-0038307.P001 (CAS 312500-69-9), with molecular formula C17H13Cl2N3O3S and molecular weight 409.01 g/mol. IUPAC: methyl 2-[[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate.
Chemical Property Profile of BIM-0038307.P001
Property Insights of BIM-0038307.P001
The XLogP value of 5.03559 indicates that BIM-0038307.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0038307.P001. Following Lipinski's Rule of Five, BIM-0038307.P001 has 1 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-0038307.P001?
The CAS number of BIM-0038307.P001 is 312500-69-9.
What is the molecular formula of BIM-0038307.P001?
The molecular formula of BIM-0038307.P001 is C17H13Cl2N3O3S.
What is the molecular weight of BIM-0038307.P001?
The molecular weight of BIM-0038307.P001 is 409.01 g/mol.
Where can I buy BIM-0038307.P001?
You can request a quote for BIM-0038307.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0038307.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0038307.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.