CAS No.58290-35-0,Boc-S-4-methoxybenzyl-D-cysteine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58290-35-0
Name:	Boc-S-4-methoxybenzyl-D-cysteine
Article Data:	13

Formula:	C₁₆H₂₃NO₅S
Molecular Weight:	341.428
Synonyms:	N-(tert-butoxycarbonyl)-S-(4-methoxybenzyl)-D-cysteine;D-cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-;Boc-Cys(pMeOBzl)-OH; Boc-Cys(Mob)-OH;Boc-S-(4-methoxybenzyl)-D-cysteine;
Density:	1.205 g/cm³
Boiling Point:	514 °C at 760 mmHg
Flash Point:	264.7 °C
PSA:	110.16000
LogP:	3.29720

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Specification

The Boc-S-(4-methoxybenzyl)-D-cysteine, with the CAS registry number 58290-35-0, has the systematic name of N-(tert-butoxycarbonyl)-S-(4-methoxybenzyl)-D-cysteine. It is a kind of organics, and should be stored in the dry and cool environment. The molecular formula of the chemical is C₁₆H₂₃NO₅S.

The characteristics of Boc-S-(4-methoxybenzyl)-D-cysteine are as followings: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.51; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 90.37 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 89.76 cm³; (15)Molar Volume: 283.1 cm³; (16)Polarizability: 35.58×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.205 g/cm³; (19)Flash Point: 264.7 °C; (20)Enthalpy of Vaporization: 82.71 kJ/mol; (21)Boiling Point: 514 °C at 760 mmHg; (22)Vapour Pressure: 2.17E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)O)CSCc1ccc(OC)cc1
(2)InChI: InChI=1/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1
(3)InChIKey: VRTXRNJMNFVTOM-CYBMUJFWBW