![N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl structure](/static/products/1052/1052405-67-0.webp)
N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl
TL;DR: N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl (CAS 1052405-67-0) is a chemical compound with molecular formula C14H18ClN3O2S and molecular weight 327.0808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid;hydrochloride
Also Known As: N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl, 3-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid;hydrochloride, 3-({11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}amino)propanoic acid hydrochloride, 3-({11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0(2),?]trideca-1(9),2(7),3,5-tetraen-3-yl}amino)propanoic acid hydrochloride, 3-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid hydrochloride
Technical Specifications
| Molecular Formula | C14H18ClN3O2S |
| Molecular Weight | 327.0808 g/mol |
| XLogP | 3.1245 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0808 Da |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
| SMILES | CC1CCC2=C(C1)SC3=NC=NC(=C23)NCCC(=O)O.Cl |
| InChIKey | IXWDNZQTNVREND-UHFFFAOYSA-N |
Chemical Property Profile of N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl
Property Insights of N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl
The XLogP value of 3.1245 indicates that N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl. Following Lipinski's Rule of Five, N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl?
The CAS number of N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl is 1052405-67-0.
What is the molecular formula of N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl?
The molecular formula of N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl is C14H18ClN3O2S.
What is the molecular weight of N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl?
The molecular weight of N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl is 327.0808 g/mol.
Where can I buy N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl?
You can request a quote for N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl?
Yes, CoreyChem provides custom synthesis services for N-(7-Methyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-yl)-b-alanine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.