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methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate structure
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methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate

TL;DR: methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate (CAS 1173681-16-7) is a chemical compound with molecular formula C13H17ClN2O3S and molecular weight 316.06485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

methyl (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfanylbutanoate

Also Known As: methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate, (R)-methyl 2-(3-(4-chlorophenyl)ureido)-4-(methylthio)butanoate, methyl (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfanylbutanoate

CAS Number
1173681-16-7
Molecular Formula
C13H17ClN2O3S
Molecular Weight
316.06485 g/mol
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Technical Specifications

Molecular FormulaC13H17ClN2O3S
Molecular Weight316.06485 g/mol
XLogP2.5
Topological Polar Surface Area (TPSA)92.7 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors4
Rotatable Bonds7
Exact Mass316.06485 Da
Heavy Atoms20
Complexity323.0
SMILESCOC(=O)[C@@H](CCSC)NC(=O)NC1=CC=C(C=C1)Cl
InChIKeyXPWVCZFHIGRDCV-LLVKDONJSA-N

Chemical Property Profile of methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate

XLogP
2.5
TPSA (Topological Polar Surface Area)
92.7
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
Rotatable Bonds
7
Heavy Atoms
20
Complexity
323.0
Exact Mass
316.06485
Monoisotopic Mass
316.06485
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate

The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate. Following Lipinski's Rule of Five, methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate has 2 hydrogen bond donor(s) and 4 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-chlorophenyl)carbamoyl]-D-methioninate?

The CAS number of methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate is 1173681-16-7.

What is the molecular formula of methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate?

The molecular formula of methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate is C13H17ClN2O3S.

What is the molecular weight of methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate?

The molecular weight of methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate is 316.06485 g/mol.

Where can I buy methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate?

You can request a quote for methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate?

Yes, CoreyChem provides custom synthesis services for methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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