CAS RN: 129460-15-7
“H-trans-DL-b-pro-4-(4-Fluorophenyl)-OH·HCl”
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.20250612 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS129460-15-7
- Purity/Analytical Methods: >99.0%
129460-15-7 / tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Basic Information
CAS
129460-15-7
Multi CAS
No
Molecular Formula
C30H40N2O6
Molecular Weight
524.600000
Exact Mass
524.288637
SMILES
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C30H40N2O6/c1-29(2,3)37-26(33)25(17-11-12-18-31-27(34)38-30(4,5)6)32-28(35)36-19-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h7-10,13-16,24-25H,11-12,17-19H2,1-6H3,(H,31,34)(H,32,35)/t25-/m0/s1
InChIKey
LOSDSFHOKANAGM-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
145.93
TPSA
102.96
LogP / Solubility
WLOGP
5.93
MLOGP
5.26
XLogP3
5.8
Consensus LogP
5.66
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-8.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
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)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 129460-17-9 L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1,4-bis(1,1-dimethylethyl) ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1,4-bis(1,1-dimethylethyl) ester
- CAS RN: 129460-17-9
- Product Code: SSC-036470
-
-
3′-TBDMS-Bz-rC Phosphoramidite
- CAS RN: 129470-47-9
- Product Code: starshine_CAS129470-47-9
- Purity/Analytical method: >99.0%
-
N-(2,3-DiMethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-2,2,2-trifluoroacetaMide
- CAS RN: 129476-61-5
- Product Code: SSC-036474
-
-
4-benzyl-2-(chloromethyl)-1,4-oxazepane(SALTDATA: FREE)
- CAS RN: 129482-45-7
- Product Code: SSC-036476
![CAS 129460-17-9 L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1,4-bis(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129460-17-9.gif)
