CAS RN: 1007840-62-1
FMOC-D-HOMOCYS(TRT)-OH
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250101 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1007840-62-1
- Purity/Analytical Methods: >99.0%
1007840-62-1 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-tritylsulfanylbutanoic acid
Fmoc-D-Homocys(Trt)-OH | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tritylthio)butanoic acid | MFCD05663440
Basic Information
CAS
1007840-62-1
Multi CAS
Yes
Molecular Formula
C38H33NO4S
Molecular Weight
599.700000
Exact Mass
599.213030
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC[C@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C38H33NO4S/c40-36(41)35(39-37(42)43-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34)24-25-44-38(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,34-35H,24-26H2,(H,39,42)(H,40,41)/t35-/m1/s1
InChIKey
FKBGJLDYRSFHBT-PGUFJCEWSA-N
Synonyms
Fmoc-D-Homocys(Trt)-OH
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tritylthio)butanoic acid
MFCD05663440
D-Homocysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-
(R)-2-(Fmoc-amino)-4-tritylsulfanyl-butyric acid
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
30
Fraction Csp3
0.16
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
175.91
TPSA
75.63
LogP / Solubility
WLOGP
8.09
MLOGP
7.17
XLogP3
8.4
Consensus LogP
7.89
Log S (ESOL)
-8.44
Class (ESOL)
Insoluble
Log S (Ali)
-10.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.63
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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