![2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben structure](/static/products/6374/63743-52-2.webp)
2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben
TL;DR: 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben (CAS 63743-52-2) is a chemical compound with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben, 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-{[(2-Hydroxyethyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C13H17N3O2S |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.10416 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 63743-52-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CNCCO |
| InChIKey | NYNPYTCYRZIEKB-UHFFFAOYSA-N |
Product Overview
2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben (CAS 63743-52-2), with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol. IUPAC: 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben
Property Insights of 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben. Following Lipinski's Rule of Five, 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben has 3 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 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben?
The CAS number of 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben is 63743-52-2.
What is the molecular formula of 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben?
The molecular formula of 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben is C13H17N3O2S.
What is the molecular weight of 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben?
The molecular weight of 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben is 279.10 g/mol.
Where can I buy 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben?
You can request a quote for 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]ben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.