CAS RN: 865488-40-0
D-Norleucine, 1-(methoxycarbonyl)-D-tryptophyl-, (4-nitrophenyl)methyl ester, monohydrochloride (9CI)
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.20251223 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS865488-40-0
- Purity/Analytical Methods: >99.0%
865488-40-0 / methyl 3-[(2R)-2-amino-3-[[(2R)-1-[(4-nitrophenyl)methoxy]-1-oxohexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;hydrochloride
Basic Information
CAS
865488-40-0
Multi CAS
Yes
Molecular Formula
C26H31CLN4O7
Molecular Weight
547.000000
Exact Mass
546.188127
InChI
InChI=1S/C26H30N4O7.ClH/c1-3-4-8-22(25(32)37-16-17-10-12-19(13-11-17)30(34)35)28-24(31)21(27)14-18-15-29(26(33)36-2)23-9-6-5-7-20(18)23;/h5-7,9-13,15,21-22H,3-4,8,14,16,27H2,1-2H3,(H,28,31);1H/t21-,22-;/m1./s1
InChIKey
GBSRABPVQULOFQ-HLUKFBSCSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
11
H-bond acceptors
9
H-bond donors
2
Molar refractivity
143.02
TPSA
155.79
LogP / Solubility
WLOGP
3.87
MLOGP
3.45
XLogP3
3.87
Consensus LogP
3.73
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.31
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
5
Customers Also Viewed
-
![CAS 865488-44-4 Chloro(Mesitylene)[(1S,2S)-(+)-2-aMino-1,2-diphenylethyl(MethylsulfonylaMido)]rutheniuM(II) RuCl(Mesitylene)[(S,S)-MsDpen] molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Chloro(Mesitylene)[(1S,2S)-(+)-2-aMino-1,2-diphenylethyl(MethylsulfonylaMido)]rutheniuM(II) RuCl(Mesitylene)[(S,S)-MsDpen]
- CAS RN: 865488-44-4
- Product Code: starshine_CAS865488-44-4
- Purity/Analytical method: >99.0%
-
4-Oxo-N-(4-hydroxyphenyl)retinamide
- CAS RN: 865536-65-8
- Product Code: starshine_CAS865536-65-8
- Purity/Analytical method: >99.0%
-
-
CMPD101
- CAS RN: 865608-11-3
- Product Code: starshine_CAS865608-11-3
- Purity/Analytical method: >99.0%
-
Takeda103A
- CAS RN: 865609-72-9
- Product Code: starshine_CAS865609-72-9
- Purity/Analytical method: >99.0%
-
Ethyl 5-(pyridin-4-yl)-1,3,4-oxadiazole-2-carboxylate
- CAS RN: 865610-89-5
- Product Code: SSC-195723
![CAS 865488-44-4 Chloro(Mesitylene)[(1S,2S)-(+)-2-aMino-1,2-diphenylethyl(MethylsulfonylaMido)]rutheniuM(II) RuCl(Mesitylene)[(S,S)-MsDpen] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/865488-44-4.gif)
![CAS 865604-33-7 IMIDAZO[1,2-A]PYRIDIN-2-AMINE, 7-BROMO- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/865604-33-7.gif)
