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CAS 35979-00-1 H-HIS-TYR-OH molecular structure lightbox
CAS RN: 35979-00-1

H-HIS-TYR-OH

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250910 100mg In stock Shanghai Inquiry
Batchno.20251004 1g In stock Shanghai Inquiry
Batchno.20260127 250mg In stock Shanghai Inquiry
Batchno.20250627 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260429 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35979-00-1
  • Purity/Analytical Methods: >99.0%
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35979-00-1 / 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Standard CAS: 35979-00-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35979-00-1
Multi CAS
Yes
Molecular Formula
C15H18N4O4
Molecular Weight
318.330000
Exact Mass
318.132805
InChI
InChI=1S/C15H18N4O4/c16-12(6-10-7-17-8-18-10)14(21)19-13(15(22)23)5-9-1-3-11(20)4-2-9/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)/t12-,13-/m0/s1
InChIKey
HTOOKGDPMXSJSY-STQMWFEESA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
5
Molar refractivity
81.64
TPSA
141.33

LogP / Solubility

WLOGP
-0.2
MLOGP
-0.16
XLogP3
-3.5
Consensus LogP
-1.29
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-4.81

Drug-likeness / Medicinal Chemistry

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

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