ML005 Analog
TL;DR: ML005 Analog (CAS 908228-27-3) is a chemical compound with molecular formula C18H23N5OS and molecular weight 357.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
Also Known As: ML005 Analog, 1-[[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol, 1-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-2-ol, 1-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-2-propanol, 1-[[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
| Molecular Formula | C18H23N5OS |
|---|---|
| Molecular Weight | 357.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.16232 |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 908228-27-3 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC(=C3C4=C(CCCC4)SC3=N2)NCC(C)O)C |
| InChIKey | MQGYUTDJBDWVRT-UHFFFAOYSA-N |
Product Overview
ML005 Analog (CAS 908228-27-3), with molecular formula C18H23N5OS and molecular weight 357.16 g/mol. IUPAC: 1-[[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol.
Chemical Property Profile of ML005 Analog
Property Insights of ML005 Analog
The XLogP value of 4.0 indicates that ML005 Analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ML005 Analog. Following Lipinski's Rule of Five, ML005 Analog 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 ML005 Analog?
The CAS number of ML005 Analog is 908228-27-3.
What is the molecular formula of ML005 Analog?
The molecular formula of ML005 Analog is C18H23N5OS.
What is the molecular weight of ML005 Analog?
The molecular weight of ML005 Analog is 357.16 g/mol.
Where can I buy ML005 Analog?
You can request a quote for ML005 Analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML005 Analog?
Yes, KEHONG BIO provides custom synthesis services for ML005 Analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.