![N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine structure](/static/products/149/1491141-37-7.webp)
N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine
TL;DR: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine (CAS 1491141-37-7) is a chemical compound with molecular formula C23H27N3O2S and molecular weight 409.1824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-[(2-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
Also Known As: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine, (2S,3S)-2-((2-benzyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)-3-methylpentanoic acid, (2S,3S)-2-[(2-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
Technical Specifications
| Molecular Formula | C23H27N3O2S |
| Molecular Weight | 409.1824 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.1824 Da |
| Heavy Atoms | 29 |
| Complexity | 556.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC1=C2C3=C(CCCC3)SC2=NC(=N1)CC4=CC=CC=C4 |
| InChIKey | HMVDEHHXIYNMKX-XOBRGWDASA-N |
Chemical Property Profile of N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine
Property Insights of N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine
The XLogP value of 6.4 indicates that N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine 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-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine. Following Lipinski's Rule of Five, N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine?
The CAS number of N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine is 1491141-37-7.
What is the molecular formula of N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine?
The molecular formula of N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine is C23H27N3O2S.
What is the molecular weight of N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine?
The molecular weight of N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine is 409.1824 g/mol.
Where can I buy N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine?
You can request a quote for N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine?
Yes, CoreyChem provides custom synthesis services for N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.