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CAS 31373-65-6 HIPPURYL-HIS-LEU molecular structure lightbox
CAS RN: 31373-65-6

HIPPURYL-HIS-LEU

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6 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 100mg In stock Shanghai Inquiry
Batchno.20260611 10mg Out of stock Inquiry
Batchno.20250803 250mg Out of stock Inquiry
Batchno.20260630 25mg Out of stock Inquiry
Batchno.20250129 50mg In stock Shanghai Inquiry
Batchno.20251025 5mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Guangdong, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS31373-65-6
  • Purity/Analytical Methods: >99.0%
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31373-65-6 / (2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid

Standard CAS: 31373-65-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31373-65-6
Multi CAS
Yes
Molecular Formula
C21H27N5O5
Molecular Weight
429.500000
Exact Mass
429.201219
InChI
InChI=1S/C21H27N5O5/c1-13(2)8-17(21(30)31)26-20(29)16(9-15-10-22-12-24-15)25-18(27)11-23-19(28)14-6-4-3-5-7-14/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H,22,24)(H,23,28)(H,25,27)(H,26,29)(H,30,31)/t16-,17-/m0/s1
InChIKey
AAXWBCKQYLBQKY-IRXDYDNUSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
5
Molar refractivity
112.02
TPSA
153.28

LogP / Solubility

WLOGP
0.48
MLOGP
0.45
XLogP3
1.4
Consensus LogP
0.78
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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