CAS RN: 96192-97-1
Nζ-carbobenzyloxy-2,7-diaminoheptanoicacid
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.20260624 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS96192-97-1
- Purity/Analytical Methods: >99.0%
96192-97-1 / 2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
Basic Information
CAS
96192-97-1
Multi CAS
No
Molecular Formula
C15H22N2O4
Molecular Weight
294.350000
Exact Mass
294.157957
InChI
InChI=1S/C15H22N2O4/c16-13(14(18)19)9-5-2-6-10-17-15(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11,16H2,(H,17,20)(H,18,19)
InChIKey
LHQHFPQHUXDMAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
3
Molar refractivity
78.71
TPSA
101.65
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
-0.7
Consensus LogP
0.95
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
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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