1T-0021
TL;DR: 1T-0021 (CAS 691872-99-8) is a chemical compound with molecular formula C18H18N4O3S2 and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(methylsulfonylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 1T-0021, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-[(methylsulfonyl)methyl]pyrazolo[1,5-a]pyrimidin-7-ol, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-5-(methanesulfonylmethyl)pyrazolo[1,5-a]pyrimidin-7-ol, 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(methylsulfonylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one, 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(methanesulfonylmethyl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C18H18N4O3S2 |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 2.70324 |
| Topological Polar Surface Area | 89.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.08203 |
| Heavy Atoms | 27 |
| Complexity | 1302.8281 |
Chemical Identifiers
| CAS Number | 691872-99-8 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=CC4=NC(=CC(=O)N4N3)CS(=O)(=O)C)C |
Product Overview
1T-0021 (CAS 691872-99-8), with molecular formula C18H18N4O3S2 and molecular weight 402.08 g/mol. IUPAC: 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(methylsulfonylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 1T-0021
Property Insights of 1T-0021
The XLogP value of 2.70324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1T-0021. The TPSA of 89.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1T-0021. Following Lipinski's Rule of Five, 1T-0021 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 1T-0021?
The CAS number of 1T-0021 is 691872-99-8.
What is the molecular formula of 1T-0021?
The molecular formula of 1T-0021 is C18H18N4O3S2.
What is the molecular weight of 1T-0021?
The molecular weight of 1T-0021 is 402.08 g/mol.
Where can I buy 1T-0021?
You can request a quote for 1T-0021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1T-0021?
Yes, KEHONG BIO provides custom synthesis services for 1T-0021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.