CAS No.942518-20-9,(S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-4-AZIDOBUTANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	942518-20-9
Name:	(S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-4-AZIDOBUTANOIC ACID
Article Data:	7

Formula:	C₁₉H₁₈N₄O₄
Molecular Weight:	366.376
Synonyms:	(2S)-N-FMoc-4-azido-butanoic acid;
Melting Point:	124.0 to 128.0 °C
Hazard Symbols:	N
Risk Codes:	50
Safety:	61
PSA:	125.38000
LogP:	3.52236

Total:30 Page 1 of 1 1

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Specification

The (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-4-azidobutanoic acid, with the CAS registry number 942518-20-9, is also known as (2S)-N-FMoc-4-azido-butanoic acid. It belongs to the product category of Fmoc Amino Acids. This chemical's molecular formula is C₁₉H₁₈N₄O₄ and molecular weight is 366.37. What's more, its systematic name is called (2S)-4-Azido-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid.

Physical properties about (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-4-azidobutanoic acid are: (1)ACD/LogP: 4.047; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 3.80; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 20.55; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 87.99 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CCN=[N+]=[N-])C(=O)O
(2) InChI: InChI=1S/C19H18N4O4/c20-23-21-10-9-17(18(24)25)22-19(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,22,26)(H,24,25)/t17-/m0/s1
(3) InChIKey: CLEZARXVEABQBI-KRWDZBQOSA-N