CAS RN: 72252-90-5
MEOSUC-ALA-ALA-PRO-VAL-AMC
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.20260616 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS72252-90-5
- Purity/Analytical Methods: >99.0%
72252-90-5 / methyl 4-[[1-[[1-[2-[[3-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
Basic Information
CAS
72252-90-5
Multi CAS
Yes
Molecular Formula
C31H41N5O9
Molecular Weight
627.700000
Exact Mass
627.290428
InChI
InChI=1S/C31H41N5O9/c1-16(2)27(30(42)34-20-9-10-21-17(3)14-26(39)45-23(21)15-20)35-29(41)22-8-7-13-36(22)31(43)19(5)33-28(40)18(4)32-24(37)11-12-25(38)44-6/h9-10,14-16,18-19,22,27H,7-8,11-13H2,1-6H3,(H,32,37)(H,33,40)(H,34,42)(H,35,41)
InChIKey
CMEUDEVBFFPSEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
10
Fraction Csp3
0.52
Rotatable bonds
12
H-bond acceptors
9
H-bond donors
4
Molar refractivity
163.81
TPSA
193.22
LogP / Solubility
WLOGP
1.13
MLOGP
1.05
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
-
5-bromo-2,4-dimethylbenzenesulfonyl chloride(SALTDATA: FREE)
- CAS RN: 72256-96-3
- Product Code: starshine_CAS72256-96-3
- Purity/Analytical method: >99.0%
-
ethyl bicyclo[6.1.0]nonane-9-carboxylate
- CAS RN: 72258-12-9
- Product Code: starshine_CAS72258-12-9
- Purity/Analytical method: >99.0%
-
-
4-(Hydroxymethyl)-1,2-O-isopropylidene-3-O-benzyl-beta-L-threo-pentofuranose
- CAS RN: 72261-44-0
- Product Code: SSC-181825
-
oxydiethylene bis(2-ethylhexanoate)
- CAS RN: 72269-52-4
- Product Code: starshine_CAS72269-52-4
- Purity/Analytical method: >99.0%
![CAS 72258-12-9 ethyl bicyclo[6.1.0]nonane-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72258-12-9.gif)
