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CAS 90614-48-5 DIPROTIN A molecular structure lightbox
CAS RN: 90614-48-5

DIPROTIN A

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250504 100mg In stock Shanghai Inquiry
Batchno.20260111 1g In stock Shanghai Inquiry
Batchno.20260426 250mg In stock Shanghai Inquiry
Batchno.20251123 25mg In stock Shanghai Inquiry
Batchno.20251109 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS90614-48-5
  • Purity/Analytical Methods: >99.0%
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90614-48-5 / 2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid

Standard CAS: 90614-48-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90614-48-5
Multi CAS
Yes
Molecular Formula
C17H31N3O4
Molecular Weight
341.400000
Exact Mass
341.231456
InChI
InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)
InChIKey
JNTMAZFVYNDPLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.82
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
91.19
TPSA
112.73

LogP / Solubility

WLOGP
0.97
MLOGP
0.87
XLogP3
-1
Consensus LogP
0.28
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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