CAS RN: 1673560-66-1
PD-1-IN-17
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: starshine_CAS1673560-66-1
- Purity/Analytical Methods: >99.0%
1673560-66-1 / (2S)-2-[[(1S)-4-amino-1-[5-[(1S,2R)-1-amino-2-hydroxypropyl]-1,3,4-oxadiazol-2-yl]-4-oxobutyl]carbamoylamino]-3-hydroxypropanoic acid
Basic Information
CAS
1673560-66-1
Multi CAS
No
Molecular Formula
C13H22N6O7
Molecular Weight
374.350000
Exact Mass
374.154997
SMILES
C[C@H]([C@@H](C1=NN=C(O1)[C@H](CCC(=O)N)NC(=O)N[C@@H](CO)C(=O)O)N)O
InChI
InChI=1S/C13H22N6O7/c1-5(21)9(15)11-19-18-10(26-11)6(2-3-8(14)22)16-13(25)17-7(4-20)12(23)24/h5-7,9,20-21H,2-4,15H2,1H3,(H2,14,22)(H,23,24)(H2,16,17,25)/t5-,6+,7+,9+/m1/s1
InChIKey
SRNQPYBWRIETFQ-XKBZYTNZSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
7
Molar refractivity
84.25
TPSA
226.92
LogP / Solubility
WLOGP
-2.5
MLOGP
-2.18
XLogP3
-6.7
Consensus LogP
-3.79
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-6.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
Rodatristat)
- CAS RN: 1673571-51-1
- Product Code: starshine_CAS1673571-51-1
- Purity/Analytical method: >99.0%
-
-
-
6a,11a-Dihydro-6,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-3-ol
- CAS RN: 1674359-82-0
- Product Code: starshine_CAS1674359-82-0
- Purity/Analytical method: >99.0%
-
Lipoamido-PEG2-alcohol
- CAS RN: 1674386-82-3
- Product Code: starshine_CAS1674386-82-3
- Purity/Analytical method: >99.0%
-
3-Pyridazineacetic acid, 1,6-dihydro-6-oxo,ethyl ester
- CAS RN: 1674399-54-2
- Product Code: SSC-073043
![CAS 1674334-51-0 3-bromo-11H-benzo[b]fluoren-11-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1674334-51-0.gif)
![CAS 1674334-55-4 3-bromo-11H-benzo[b]fluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1674334-55-4.gif)
![CAS 1674359-82-0 6a,11a-Dihydro-6,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1674359-82-0.gif)
