CAS RN: 72122-62-4
BETA-CASOMORPHIN (BOVINE)
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.20250523 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72122-62-4
- Purity/Analytical Methods: >99.0%
72122-62-4 / (2S,3S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Basic Information
CAS
72122-62-4
Multi CAS
Yes
Molecular Formula
C41H55N7O9
Molecular Weight
789.900000
Exact Mass
789.406126
InChI
InChI=1S/C41H55N7O9/c1-3-25(2)35(41(56)57)45-38(53)32-13-7-19-46(32)34(50)24-43-36(51)31-12-8-21-48(31)40(55)30(23-26-10-5-4-6-11-26)44-37(52)33-14-9-20-47(33)39(54)29(42)22-27-15-17-28(49)18-16-27/h4-6,10-11,15-18,25,29-33,35,49H,3,7-9,12-14,19-24,42H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,56,57)/t25-,29-,30-,31-,32-,33-,35-/m0/s1
InChIKey
RKYJTDSQXOMDAD-JKXTZXEVSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
16
H-bond acceptors
9
H-bond donors
6
Molar refractivity
208.1
TPSA
231.78
LogP / Solubility
WLOGP
0.69
MLOGP
0.68
XLogP3
-0.2
Consensus LogP
0.39
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.05
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
Customers Also Viewed
-
X-GAL
- CAS RN: 72122-63-5
- Product Code: starshine_CAS72122-63-5
- Purity/Analytical method: >99.0%
-
CALCIMYCIN A23187 HEMIMAGNESIUM SALT
- CAS RN: 72124-77-7
- Product Code: starshine_CAS72124-77-7
- Purity/Analytical method: >99.0%
-
N,N’-BIS[2-[5-(DIMETHYLAMINOMETHYL)FURFURYLTHIO]ETHYL]-2-NITRO-1,1-ETHENDIAMINE
- CAS RN: 72126-78-4
- Product Code: starshine_CAS72126-78-4
- Purity/Analytical method: >99.0%
-
ethyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate
- CAS RN: 72130-68-8
- Product Code: starshine_CAS72130-68-8
- Purity/Analytical method: >99.0%
-
METHYL 3-(DIMETHYLAMINO)-2-ISOCYANOACRYLATE
- CAS RN: 72130-98-4
- Product Code: starshine_CAS72130-98-4
- Purity/Analytical method: >99.0%
-
![CAS 72126-78-4 N,N’-BIS[2-[5-(DIMETHYLAMINOMETHYL)FURFURYLTHIO]ETHYL]-2-NITRO-1,1-ETHENDIAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72126-78-4.gif)
