CAS RN: 1784-04-9
L-BAME
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.20260414 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1784-04-9
- Purity/Analytical Methods: >99.0%
1784-04-9 / methyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride
Basic Information
CAS
1784-04-9
Multi CAS
No
Molecular Formula
C14H21ClN4O3
Molecular Weight
328.790000
Exact Mass
328.130218
SMILES
COC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC=CC=C1.Cl
InChI
InChI=1S/C14H20N4O3.ClH/c1-21-13(20)11(8-5-9-17-14(15)16)18-12(19)10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9H2,1H3,(H,18,19)(H4,15,16,17);1H/t11-;/m0./s1
InChIKey
MMZBVARFMVSTCT-MERQFXBCSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
86.87
TPSA
119.8
LogP / Solubility
WLOGP
0.43
MLOGP
0.4
XLogP3
0.43
Consensus LogP
0.42
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
