CAS RN: 58872-39-2
H-VAL-PRO-PRO-OH
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS58872-39-2
- Purity/Analytical Methods: >99.0%
58872-39-2 / (2S)-1-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
58872-39-2
Multi CAS
Yes
Molecular Formula
C15H25N3O4
Molecular Weight
311.380000
Exact Mass
311.184506
InChI
InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1
InChIKey
DOFAQXCYFQKSHT-SRVKXCTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.92
TPSA
103.94
LogP / Solubility
WLOGP
0.04
MLOGP
0.05
XLogP3
-2.1
Consensus LogP
-0.67
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
Customers Also Viewed
-
-
2-(2-Chloroethyl)-1-methylpiperidine hydrochloride
- CAS RN: 58878-37-8
- Product Code: starshine_CAS58878-37-8
- Purity/Analytical method: >99.0%
-
(S)-(+)-DIHYDRO-5-(P-TOLYLSULFONYLOXYMETHYL)-2(3H)-FURANONE
- CAS RN: 58879-34-8
- Product Code: starshine_CAS58879-34-8
- Purity/Analytical method: >99.0%
-
2alpha,19alpha,23-Trihydroxyoleanolic acid
- CAS RN: 58880-25-4
- Product Code: starshine_CAS58880-25-4
- Purity/Analytical method: >99.0%
-
1-(4-CHLOROPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID
- CAS RN: 58880-37-8
- Product Code: SSC-167223
-
2-(9-oxoacridin-10-yl)acetic acid
- CAS RN: 58880-43-6
- Product Code: starshine_CAS58880-43-6
- Purity/Analytical method: >99.0%
