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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
15873-25-3 / naphthalen-2-yl (2S)-2-benzamido-3-phenylpropanoate
Basic Information
CAS
15873-25-3
Multi CAS
No
Molecular Formula
C26H21NO3
Molecular Weight
395.400000
Exact Mass
395.152144
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)OC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H21NO3/c28-25(21-12-5-2-6-13-21)27-24(17-19-9-3-1-4-10-19)26(29)30-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,28)/t24-/m0/s1
InChIKey
NPPKNSHRAVHLHD-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
117.43
TPSA
55.4
LogP / Solubility
WLOGP
4.79
MLOGP
4.24
XLogP3
5.9
Consensus LogP
4.98
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73
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
3.5
