BIM-0046043.P001
TL;DR: BIM-0046043.P001 (CAS 381699-80-5) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: BIM-0046043.P001, AO-299/15048008, (Z)-6-(4-hydroxybenzylidene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(PROPAN-2-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE, 4-{(Z)-[5-imino-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-3-ium-6(7H)-ylidene]methyl}phenolate
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 381699-80-5 |
|---|---|
| SMILES | CC(C)C1=NN2C(=C(C(=O)N=C2S1)C=C3C=CC(=O)C=C3)N |
| InChIKey | BLHWURMQVUEREK-UHFFFAOYSA-N |
Product Overview
BIM-0046043.P001 (CAS 381699-80-5), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: 5-amino-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of BIM-0046043.P001
Property Insights of BIM-0046043.P001
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0046043.P001. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0046043.P001. Following Lipinski's Rule of Five, BIM-0046043.P001 has 1 hydrogen bond donor(s) and 5 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-0046043.P001?
The CAS number of BIM-0046043.P001 is 381699-80-5.
What is the molecular formula of BIM-0046043.P001?
The molecular formula of BIM-0046043.P001 is C15H14N4O2S.
What is the molecular weight of BIM-0046043.P001?
The molecular weight of BIM-0046043.P001 is 314.08 g/mol.
Where can I buy BIM-0046043.P001?
You can request a quote for BIM-0046043.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046043.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046043.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.