![CAS 1013096-03-1 1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylcyclohexane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1013096-03-1.gif)
CAS RN: 1013096-03-1
1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylcyclohexane-1-carboxylic 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.20251111 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-002159
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 | Shenzhen | Inquiry |
1013096-03-1 / (2R)-3-(tert-butyldisulfanyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
Fmoc-N-methyl-S-tert-butylthio-L-cysteine | MFCD24849705 | (2R)-3-(tert-butyldisulfanyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
Basic Information
CAS
1013096-03-1
Multi CAS
Yes
Molecular Formula
C23H27NO4S2
Molecular Weight
445.600000
Exact Mass
445.138151
SMILES
CC(C)(C)SSC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H27NO4S2/c1-23(2,3)30-29-14-20(21(25)26)24(4)22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,25,26)/t20-/m0/s1
InChIKey
QPVDBMCIAVPXQJ-FQEVSTJZSA-N
Synonyms
Fmoc-N-methyl-S-tert-butylthio-L-cysteine
MFCD24849705
(2R)-3-(tert-butyldisulfanyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
(R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(tert-butyldisulfanyl)propanoic acid
SCHEMBL16288773
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
124.06
TPSA
66.84
LogP / Solubility
WLOGP
5.5
MLOGP
4.87
XLogP3
4.5
Consensus LogP
4.96
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
PF-04691502
- CAS RN: 1013101-36-4
- Product Code: starshine_CAS1013101-36-4
- Purity/Analytical method: >99.0%
-
1-(2-(methoxymethoxy)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1013101-73-9
- Product Code: SSC-002161
-
-
4-Piperidinecarbonitrile, 3-hydroxy-1-(phenylMethyl)-, (3R,4R)-rel-
- CAS RN: 1013333-20-4
- Product Code: starshine_CAS1013333-20-4
- Purity/Analytical method: >99.0%
-
trans-4-(aminomethyl)piperidin-3-ol dihydrochloride
- CAS RN: 1013333-23-7
- Product Code: SSC-002178
-
tert-butyl 6,7-diMethyl-4- oxo-3,4-dihydro-1η-spiro[chroMene-2,4′-piperidine]-1′-carboxylate
- CAS RN: 1013333-61-3
- Product Code: SSC-002182
![CAS 1013333-61-3 tert-butyl 6,7-diMethyl-4- oxo-3,4-dihydro-1η-spiro[chroMene-2,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1013333-61-3.gif)