CAS RN: 1198791-74-0
(R)-L-N-FMOC-S-MMT-A-METHYLCYSTEINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260203 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1198791-74-0
- Purity/Analytical Methods: >99.0%
1198791-74-0 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanyl-2-methylpropanoic acid
(R)-L-N-Fmoc-s-mmt-alpha-methylcysteine | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-[(4-methoxyphenyl)diphenylmethyl]-2-methyl-L-cysteine | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanyl-2-methylpropanoic acid
Basic Information
CAS
1198791-74-0
Multi CAS
Yes
Molecular Formula
C39H35NO5S
Molecular Weight
629.800000
Exact Mass
629.223594
SMILES
C[C@](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C39H35NO5S/c1-38(36(41)42,40-37(43)45-25-35-33-19-11-9-17-31(33)32-18-10-12-20-34(32)35)26-46-39(27-13-5-3-6-14-27,28-15-7-4-8-16-28)29-21-23-30(44-2)24-22-29/h3-24,35H,25-26H2,1-2H3,(H,40,43)(H,41,42)/t38-/m0/s1
InChIKey
FTIUQZHUKYUVEE-LHEWISCISA-N
Synonyms
(R)-L-N-Fmoc-s-mmt-alpha-methylcysteine
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-[(4-methoxyphenyl)diphenylmethyl]-2-methyl-L-cysteine
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanyl-2-methylpropanoic acid
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(((4-methoxyphenyl)diphenylmethyl)thio)-2-methylpropanoic acid
Fmoc-alpha-Me-L-Cys(Mmt)-OH
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
2
Molar refractivity
182.46
TPSA
84.86
LogP / Solubility
WLOGP
8.1
MLOGP
7.18
XLogP3
8.2
Consensus LogP
7.83
Log S (ESOL)
-8.61
Class (ESOL)
Insoluble
Log S (Ali)
-10.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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