[email protected]
CAS 72122-63-5 X-GAL molecular structure lightbox
CAS RN: 72122-63-5

X-GAL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250107 5mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS72122-63-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

72122-63-5 / 2-[[(2S)-1-[(2S)-2-[[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

Standard CAS: 72122-63-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72122-63-5
Multi CAS
Yes
Molecular Formula
C30H37N5O7
Molecular Weight
579.600000
Exact Mass
579.269299
InChI
InChI=1S/C30H37N5O7/c31-22(16-20-10-12-21(36)13-11-20)29(41)34-14-5-9-25(34)28(40)33-23(17-19-6-2-1-3-7-19)30(42)35-15-4-8-24(35)27(39)32-18-26(37)38/h1-3,6-7,10-13,22-25,36H,4-5,8-9,14-18,31H2,(H,32,39)(H,33,40)(H,37,38)/t22-,23-,24-,25?/m0/s1
InChIKey
PKKIDZFGRQACGB-UKXRBIRESA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
5
Molar refractivity
151.98
TPSA
182.37

LogP / Solubility

WLOGP
0.17
MLOGP
0.2
XLogP3
-1.3
Consensus LogP
-0.31
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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)
-6.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us