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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
387824-78-4 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(prop-2-enoxycarbonylamino)butanoic acid
Basic Information
CAS
387824-78-4
Multi CAS
Yes
Molecular Formula
C23H24N2O6
Molecular Weight
424.400000
Exact Mass
424.163436
InChI
InChI=1S/C23H24N2O6/c1-2-13-30-22(28)24-12-11-20(21(26)27)25-23(29)31-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-20H,1,11-14H2,(H,24,28)(H,25,29)(H,26,27)/t20-/m1/s1
InChIKey
YIVBOSPUFNDYMF-HXUWFJFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
113.79
TPSA
113.96
LogP / Solubility
WLOGP
3.28
MLOGP
2.91
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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- Product Code: SSC-077637
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