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 |
1272754-92-3 / prop-2-enyl (2R)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride
Basic Information
CAS
1272754-92-3
Multi CAS
No
Molecular Formula
C24H29ClN2O4
Molecular Weight
444.900000
Exact Mass
444.181585
SMILES
C=CCOC(=O)[C@@H](CCCCN)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.Cl
InChI
InChI=1S/C24H28N2O4.ClH/c1-2-15-29-23(27)22(13-7-8-14-25)26-24(28)30-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21;/h2-6,9-12,21-22H,1,7-8,13-16,25H2,(H,26,28);1H/t22-;/m1./s1
InChIKey
IBCYYPRTIQUQJP-VZYDHVRKSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
123.3
TPSA
90.65
LogP / Solubility
WLOGP
4.17
MLOGP
3.7
XLogP3
4.17
Consensus LogP
4.01
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47
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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