Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2632342-05-1 / 6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
Basic Information
CAS
2632342-05-1
Multi CAS
No
Molecular Formula
C32H38N6O8
Molecular Weight
634.700000
Exact Mass
634.275112
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NC2=CC=C(C=C2)CO)NC(=O)CNC(=O)CNC(=O)CCCCCN3C(=O)C=CC3=O
InChI
InChI=1S/C32H38N6O8/c39-21-23-10-12-24(13-11-23)36-28(42)20-35-32(46)25(17-22-7-3-1-4-8-22)37-29(43)19-34-27(41)18-33-26(40)9-5-2-6-16-38-30(44)14-15-31(38)45/h1,3-4,7-8,10-15,25,39H,2,5-6,9,16-21H2,(H,33,40)(H,34,41)(H,35,46)(H,36,42)(H,37,43)/t25-/m0/s1
InChIKey
CTYXSHFYZMWMPD-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
12
Fraction Csp3
0.34
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
6
Molar refractivity
166.43
TPSA
203.11
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.23
XLogP3
-0.2
Consensus LogP
-0.25
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.82
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
4.5
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