CAS RN: 1445976-44-2
(R)-2-((tert-Butoxycarbonyl)amino)-5-methylhexanoic 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.20251203 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-055800
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1445976-44-2 / (2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Basic Information
CAS
1445976-44-2
Multi CAS
No
Molecular Formula
C12H23NO4
Molecular Weight
245.320000
Exact Mass
245.162708
SMILES
CC(C)CC[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-8(2)6-7-9(10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKey
PMBPWNBVQINJRH-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.87
TPSA
75.63
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(R)-Methyl 3-((tert-butoxycarbonyl)amino)butanoate
- CAS RN: 159877-47-1
- Product Code: SSC-067865
-
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxy-3-methylbutanoic acid
- CAS RN: 884880-39-1
- Product Code: SSC-199186
-
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid
- CAS RN: 201864-71-3
- Product Code: SSC-095138
-
(R)-2-(1-(((9H-Fluoren-9-yl)methoxy)carbonyl)pyrrolidin-2-yl)acetic acid
- CAS RN: 193693-61-7
- Product Code: SSC-091502
-
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-nitrophenyl)butanoic acid
- CAS RN: 269398-78-9
- Product Code: SSC-125366
-
