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CAS 7390-78-5 H-TYR-TYR-TYR-OH molecular structure lightbox
CAS RN: 7390-78-5

H-TYR-TYR-TYR-OH

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251227 100mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250422 1g Out of stock 8-10 business days Inquiry
Batchno.20250502 250mg In stock Shanghai Inquiry
Batchno.20251201 25mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS7390-78-5
  • Purity/Analytical Methods: >99.0%
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7390-78-5 / 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Standard CAS: 7390-78-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7390-78-5
Multi CAS
Yes
Molecular Formula
C27H29N3O7
Molecular Weight
507.500000
Exact Mass
507.200550
InChI
InChI=1S/C27H29N3O7/c28-22(13-16-1-7-19(31)8-2-16)25(34)29-23(14-17-3-9-20(32)10-4-17)26(35)30-24(27(36)37)15-18-5-11-21(33)12-6-18/h1-12,22-24,31-33H,13-15,28H2,(H,29,34)(H,30,35)(H,36,37)
InChIKey
RMRFSFXLFWWAJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
7
Molar refractivity
134.91
TPSA
182.21

LogP / Solubility

WLOGP
1.21
MLOGP
1.1
XLogP3
-1.1
Consensus LogP
0.4
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.95

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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