![bromo(hydroxy)[?]one structure](/static/products/1368/136800-74-3.webp)
bromo(hydroxy)[?]one
TL;DR: bromo(hydroxy)[?]one (CAS 136800-74-3) is a chemical compound with molecular formula C13H9BrN2O2S and molecular weight 335.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-hydroxy-8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10-pentaen-16-one
Also Known As: bromo(hydroxy)[?]one, 7-Bromo-6-hydroxy-2,3-dihydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-one, BAS 00386823, NCI60_018041, AF-966/00550047
| Molecular Formula | C13H9BrN2O2S |
|---|---|
| Molecular Weight | 335.96 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.95682 |
| Heavy Atoms | 19 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 136800-74-3 |
|---|---|
| SMILES | C1CC2=NC3=C(C4=C(S3)C(=C(C=C4)Br)O)C(=O)N2C1 |
| InChIKey | PCJYQCZDTDWCQW-UHFFFAOYSA-N |
Product Overview
bromo(hydroxy)[?]one (CAS 136800-74-3), with molecular formula C13H9BrN2O2S and molecular weight 335.96 g/mol. IUPAC: 5-bromo-6-hydroxy-8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10-pentaen-16-one.
Chemical Property Profile of bromo(hydroxy)[?]one
Property Insights of bromo(hydroxy)[?]one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bromo(hydroxy)[?]one. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for bromo(hydroxy)[?]one. Following Lipinski's Rule of Five, bromo(hydroxy)[?]one has 1 hydrogen bond donor(s) and 4 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 bromo(hydroxy)[?]one?
The CAS number of bromo(hydroxy)[?]one is 136800-74-3.
What is the molecular formula of bromo(hydroxy)[?]one?
The molecular formula of bromo(hydroxy)[?]one is C13H9BrN2O2S.
What is the molecular weight of bromo(hydroxy)[?]one?
The molecular weight of bromo(hydroxy)[?]one is 335.96 g/mol.
Where can I buy bromo(hydroxy)[?]one?
You can request a quote for bromo(hydroxy)[?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bromo(hydroxy)[?]one?
Yes, KEHONG BIO provides custom synthesis services for bromo(hydroxy)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.