![methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate structure](/static/products/121/1212189-61-1.webp)
methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate
TL;DR: methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate (CAS 1212189-61-1) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methylbutanoate
Also Known As: methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate, (S)-methyl 2-(3-(4-(benzo[d]thiazol-2-yl)phenyl)ureido)-3-methylbutanoate, methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methylbutanoate
Technical Specifications
| Molecular Formula | C20H21N3O3S |
| Molecular Weight | 383.13037 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.13037 Da |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2 |
| InChIKey | ULZSEGBFNFIFJL-KRWDZBQOSA-N |
Chemical Property Profile of methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate
Property Insights of methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate
The XLogP value of 4.3 indicates that methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate. Following Lipinski's Rule of Five, methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate 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
What is the CAS number of methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate?
The CAS number of methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate is 1212189-61-1.
What is the molecular formula of methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate?
The molecular formula of methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate is C20H21N3O3S.
What is the molecular weight of methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate?
The molecular weight of methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate is 383.13037 g/mol.
Where can I buy methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate?
You can request a quote for methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate?
Yes, CoreyChem provides custom synthesis services for methyl N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.