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CAS 65621-26-3 Z-DAP(Z)-OH molecular structure lightbox
CAS RN: 65621-26-3

Z-DAP(Z)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS65621-26-3
  • Purity/Analytical Methods: >99.0%
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65621-26-3 / (2S)-2,3-bis(phenylmethoxycarbonylamino)propanoic acid

Standard CAS: 65621-26-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65621-26-3
Multi CAS
Yes
Molecular Formula
C19H20N2O6
Molecular Weight
372.400000
Exact Mass
372.132136
InChI
InChI=1S/C19H20N2O6/c22-17(23)16(21-19(25)27-13-15-9-5-2-6-10-15)11-20-18(24)26-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23)/t16-/m0/s1
InChIKey
YTQKWTMXEWAKAJ-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
95.82
TPSA
113.96

LogP / Solubility

WLOGP
2.29
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

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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