Oxodihydrothiochrome
TL;DR: Oxodihydrothiochrome (CAS 99352-94-0) is a chemical compound with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxyethyl)-6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),5,9,11-tetraen-8-one
Also Known As: Oxodihydrothiochrome, 5-(2-hydroxyethyl)-6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),5,9,11-tetraen-8-one, 8-(2-Hydroxyethyl)-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-5-one, 8-(2-Hydroxyethyl)-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d]thiazolo[3,2-a]pyrimidin-5-one, RefChem:168973
| Molecular Formula | C12H14N4O2S |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.08374 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 99352-94-0 |
|---|---|
| SMILES | CC1=C(SC2N1C(=O)C3=CN=C(N=C3N2)C)CCO |
| InChIKey | SFFBMQWMODQHNO-UHFFFAOYSA-N |
Product Overview
Oxodihydrothiochrome (CAS 99352-94-0), with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol. IUPAC: 5-(2-hydroxyethyl)-6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),5,9,11-tetraen-8-one.
Chemical Property Profile of Oxodihydrothiochrome
Property Insights of Oxodihydrothiochrome
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxodihydrothiochrome. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxodihydrothiochrome. Following Lipinski's Rule of Five, Oxodihydrothiochrome has 2 hydrogen bond donor(s) and 6 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 Oxodihydrothiochrome?
The CAS number of Oxodihydrothiochrome is 99352-94-0.
What is the molecular formula of Oxodihydrothiochrome?
The molecular formula of Oxodihydrothiochrome is C12H14N4O2S.
What is the molecular weight of Oxodihydrothiochrome?
The molecular weight of Oxodihydrothiochrome is 278.08 g/mol.
Where can I buy Oxodihydrothiochrome?
You can request a quote for Oxodihydrothiochrome directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxodihydrothiochrome?
Yes, KEHONG BIO provides custom synthesis services for Oxodihydrothiochrome and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.