CAS RN: 2421187-79-1
H-L-Photo-lysine HCl
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.20250420 | 25mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2421187-79-1
- Purity/Analytical Methods: >99.0%
2421187-79-1 / (2S)-2-amino-6-[2-(3-methyldiazirin-3-yl)ethoxycarbonylamino]hexanoic acid;hydrochloride
Basic Information
CAS
2421187-79-1
Multi CAS
No
Molecular Formula
C11H21ClN4O4
Molecular Weight
308.760000
Exact Mass
308.125133
SMILES
CC1(N=N1)CCOC(=O)NCCCC[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C11H20N4O4.ClH/c1-11(14-15-11)5-7-19-10(18)13-6-3-2-4-8(12)9(16)17;/h8H,2-7,12H2,1H3,(H,13,18)(H,16,17);1H/t8-;/m0./s1
InChIKey
NFYRMQZAZIBQET-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.82
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
73.94
TPSA
126.37
LogP / Solubility
WLOGP
1.29
MLOGP
1.15
XLogP3
1.29
Consensus LogP
1.24
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-3.69
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
2
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