CAS RN: 1834515-99-9
Fmoc-Ala-Ala-Asn(Trt)-PAB
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.20260401 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1834515-99-9
- Purity/Analytical Methods: >99.0%
1834515-99-9 / 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1,4-dioxo-4-(tritylamino)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Basic Information
CAS
1834515-99-9
Multi CAS
No
Molecular Formula
C51H49N5O7
Molecular Weight
844.000000
Exact Mass
843.363199
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)CO)NC(=O)[C@H](C)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C51H49N5O7/c1-33(52-47(59)34(2)53-50(62)63-32-44-42-24-14-12-22-40(42)41-23-13-15-25-43(41)44)48(60)55-45(49(61)54-39-28-26-35(31-57)27-29-39)30-46(58)56-51(36-16-6-3-7-17-36,37-18-8-4-9-19-37)38-20-10-5-11-21-38/h3-29,33-34,44-45,57H,30-32H2,1-2H3,(H,52,59)(H,53,62)(H,54,61)(H,55,60)(H,56,58)/t33-,34-,45-/m0/s1
InChIKey
GGDPZZWZHMXMSD-RHIBOQTESA-N
Computed Properties
Structural Parameters
Heavy atom count
63
Aromatic heavy atom count
36
Fraction Csp3
0.2
Rotatable bonds
16
H-bond acceptors
7
H-bond donors
6
Molar refractivity
240.16
TPSA
174.96
LogP / Solubility
WLOGP
6.53
MLOGP
5.83
XLogP3
6.5
Consensus LogP
6.29
Log S (ESOL)
-8.56
Class (ESOL)
Insoluble
Log S (Ali)
-11.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.49
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)
-3.23
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
7.5
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