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MeLAB structure
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MeLAB

TL;DR: MeLAB (CAS 117894-12-9) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

MeLAB

(2S,3S,4S)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol

Also Known As: MeLAB, Methyldimethylaminoazobenzene, N-Methyl-1,4-dideoxy-1,4-imino-L-arabinitol, (2S,3S,4S)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol, 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2S,3S,4S)-

CAS Number
117894-12-9
Molecular Formula
C6H13NO3
Molecular Weight
147.08954 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (14 patents) Pharmaceutical Intermediates (41 patents)

Technical Specifications

Molecular FormulaC6H13NO3
Molecular Weight147.08954 g/mol
XLogP-1.3
Topological Polar Surface Area (TPSA)63.9 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds1
Exact Mass147.08954 Da
Heavy Atoms10
Complexity120.0
SMILESCN1C[C@@H]([C@H]([C@@H]1CO)O)O
InChIKeyUBVOJPDDTVFNFJ-ZLUOBGJFSA-N

Chemical Property Profile of MeLAB

XLogP
-1.3
TPSA (Topological Polar Surface Area)
63.9
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
1
Heavy Atoms
10
Complexity
120.0
Exact Mass
147.08954
Monoisotopic Mass
147.08954
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 MeLAB

The XLogP value of -1.3 indicates that MeLAB is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for MeLAB. Following Lipinski's Rule of Five, MeLAB has 3 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 MeLAB?

The CAS number of MeLAB is 117894-12-9.

What is the molecular formula of MeLAB?

The molecular formula of MeLAB is C6H13NO3.

What is the molecular weight of MeLAB?

The molecular weight of MeLAB is 147.08954 g/mol.

Where can I buy MeLAB?

You can request a quote for MeLAB directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for MeLAB?

Yes, CoreyChem provides custom synthesis services for MeLAB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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