CAS RN: 944283-27-6
BOC-THR(ILE-FMOC)-OH
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.20251012 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS944283-27-6
- Purity/Analytical Methods: >99.0%
944283-27-6 / (2S,3R)-3-[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Basic Information
CAS
944283-27-6
Multi CAS
Yes
Molecular Formula
C30H38N2O8
Molecular Weight
554.600000
Exact Mass
554.262816
InChI
InChI=1S/C30H38N2O8/c1-7-17(2)24(27(35)39-18(3)25(26(33)34)32-29(37)40-30(4,5)6)31-28(36)38-16-23-21-14-10-8-12-19(21)20-13-9-11-15-22(20)23/h8-15,17-18,23-25H,7,16H2,1-6H3,(H,31,36)(H,32,37)(H,33,34)/t17-,18+,24-,25-/m0/s1
InChIKey
DVXQNNYVNXVLDP-MSFWWKAZSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
3
Molar refractivity
147.8
TPSA
140.26
LogP / Solubility
WLOGP
4.85
MLOGP
4.31
XLogP3
5.5
Consensus LogP
4.89
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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