CAS RN: 676629-90-6
(S)-Boc-2-amino-3,3-dimethyl-pent-4-enoic acid
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.20250827 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-177430
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Shanghai | Inquiry |
676629-90-6 / 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
Basic Information
CAS
676629-90-6
Multi CAS
Yes
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
InChI
InChI=1S/C12H21NO4/c1-7-12(5,6)8(9(14)15)13-10(16)17-11(2,3)4/h7-8H,1H2,2-6H3,(H,13,16)(H,14,15)/t8-/m1/s1
InChIKey
FPMRFGHGLLFAJZ-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.77
TPSA
75.63
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.5
Consensus LogP
2.2
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
KYL
- CAS RN: 676657-00-4
- Product Code: starshine_CAS676657-00-4
- Purity/Analytical method: >99.0%
-
2-mthoxy-5,6,7,8-tetrahydro-[1,6]naphthyridine
- CAS RN: 676994-61-9
- Product Code: SSC-177446
-
1,6-Naphthyridin-2(1H)-one,5,6,7,8-tetrahydro-(9CI)
- CAS RN: 676994-64-2
- Product Code: SSC-177447
-
Pyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-2-methyl- (9CI)
- CAS RN: 676994-65-3
- Product Code: starshine_CAS676994-65-3
- Purity/Analytical method: >99.0%
-
-
Avatrombopag maleate
- CAS RN: 677007-74-8
- Product Code: starshine_CAS677007-74-8
- Purity/Analytical method: >99.0%
![CAS 676994-61-9 2-mthoxy-5,6,7,8-tetrahydro-[1,6]naphthyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/676994-61-9.gif)
![CAS 676994-65-3 Pyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-2-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/676994-65-3.gif)
