ChemDiv1_027272
TL;DR: ChemDiv1_027272 (CAS 294875-15-3) is a chemical compound with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,10-trimethyl-5-oxa-8-thia-10,12,13,14,15-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),11,13-tetraen-16-one
Also Known As: ChemDiv1_027272, BAS 00338294, AE-848/31942020, A1304/0059280, 4,8,8-trimethyl-4,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3,4]tetraazolo[1,5-a]pyrimidin-10-one
| Molecular Formula | C12H13N5O2S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 291.079 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 294875-15-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N4C(=NN=N4)N3C)C |
| InChIKey | ASTURYLVCZATCY-UHFFFAOYSA-N |
Product Overview
ChemDiv1_027272 (CAS 294875-15-3), with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol. IUPAC: 4,4,10-trimethyl-5-oxa-8-thia-10,12,13,14,15-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),11,13-tetraen-16-one.
Chemical Property Profile of ChemDiv1_027272
Property Insights of ChemDiv1_027272
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_027272. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027272. Following Lipinski's Rule of Five, ChemDiv1_027272 has 0 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 ChemDiv1_027272?
The CAS number of ChemDiv1_027272 is 294875-15-3.
What is the molecular formula of ChemDiv1_027272?
The molecular formula of ChemDiv1_027272 is C12H13N5O2S.
What is the molecular weight of ChemDiv1_027272?
The molecular weight of ChemDiv1_027272 is 291.08 g/mol.
Where can I buy ChemDiv1_027272?
You can request a quote for ChemDiv1_027272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027272?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.