CAS RN: 74085-81-7
Boc-D-Met-Gly-OEt
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB926880
74085-81-7 / ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]acetate
Basic Information
CAS
74085-81-7
Multi CAS
No
Molecular Formula
C14H26N2O5S
Molecular Weight
334.430000
Exact Mass
334.156243
InChI
InChI=1S/C14H26N2O5S/c1-6-20-11(17)9-15-12(18)10(7-8-22-5)16-13(19)21-14(2,3)4/h10H,6-9H2,1-5H3,(H,15,18)(H,16,19)/t10-/m1/s1
InChIKey
OKRFDLMWMYCWRP-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.79
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
85.8
TPSA
93.73
LogP / Solubility
WLOGP
1.31
MLOGP
1.17
XLogP3
1.6
Consensus LogP
1.36
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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