CAS RN: 29804-52-2
BOC-PRO-PRO-PRO-PRO-OH
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29804-52-2
- Purity/Analytical Methods: >99.0%
29804-52-2 / 1-[1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
29804-52-2
Multi CAS
Yes
Molecular Formula
C25H38N4O7
Molecular Weight
506.600000
Exact Mass
506.274050
InChI
InChI=1S/C25H38N4O7/c1-25(2,3)36-24(35)29-15-6-10-18(29)22(32)27-13-4-8-16(27)20(30)26-12-5-9-17(26)21(31)28-14-7-11-19(28)23(33)34/h16-19H,4-15H2,1-3H3,(H,33,34)
InChIKey
RSIYRONDCOJJQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
127.8
TPSA
127.77
LogP / Solubility
WLOGP
1.44
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.38
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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