CAS RN: 380449-51-4
Melphalan Flufenamide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250923 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250919 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250102 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260313 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250708 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS380449-51-4
- Purity/Analytical Methods: >99.0%
380449-51-4 / ethyl (2S)-2-[[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-(4-fluorophenyl)propanoate
Basic Information
CAS
380449-51-4
Multi CAS
Yes
Molecular Formula
C24H30CL2FN3O3
Molecular Weight
498.400000
Exact Mass
497.164825
InChI
InChI=1S/C24H30Cl2FN3O3/c1-2-33-24(32)22(16-18-3-7-19(27)8-4-18)29-23(31)21(28)15-17-5-9-20(10-6-17)30(13-11-25)14-12-26/h3-10,21-22H,2,11-16,28H2,1H3,(H,29,31)/t21-,22-/m0/s1
InChIKey
YQZNKYXGZSVEHI-VXKWHMMOSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
2
Molar refractivity
130.44
TPSA
84.66
LogP / Solubility
WLOGP
3.27
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.13
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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