![N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine structure](/static/products/799/799785-89-0.png)
N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine
TL;DR: N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine (CAS 799785-89-0) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid
Also Known As: BAS 04913212, 3-(2-Methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno-[2,3-d]pyrimidin-4-ylamino)-propionic acid, N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine, 3-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid, 3-((2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propanoic acid
| Molecular Formula | C14H17N3O2S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.76512 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.10416 |
| Heavy Atoms | 20 |
| Complexity | 665.973 |
Chemical Identifiers
| CAS Number | 799785-89-0 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCCC3)SC2=N1)NCCC(=O)O |
Product Overview
N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine (CAS 799785-89-0), with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol. IUPAC: 3-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid.
Chemical Property Profile of N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine
Property Insights of N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine
The XLogP value of 2.76512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine. Following Lipinski's Rule of Five, N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine has 2 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 N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine?
The CAS number of N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine is 799785-89-0.
What is the molecular formula of N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine?
The molecular formula of N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine is C14H17N3O2S.
What is the molecular weight of N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine?
The molecular weight of N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine is 291.10 g/mol.
Where can I buy N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine?
You can request a quote for N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.