![CAS 79990-15-1 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-alanine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0596-jpgcontextbwfzdgvyfhjvb3r8mtk2ndn8aw1hz2uvanblz3xom2evadlhlzkxnzm5njk1mdiymzgvrja1otyuanbnfgfjmwu4zti1zgy5y2y3ntk3ywu4mgvjnjiwnzexzwiznji5n2eyytgznjgxytywzgy2ywfhn2nkyznhnznlotk.jpeg)
CAS RN: 79990-15-1
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-alanine
- Product code: SSC-188979
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >97% | 4 In Stock | Shanghai | Inquiry |
| 10g | >97% | 2 In Stock | Shanghai | Inquiry |
| 25g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
79990-15-1 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
79990-15-1
Multi CAS
Yes
Molecular Formula
C18H17NO4
Molecular Weight
311.300000
Exact Mass
311.115758
InChI
InChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)
InChIKey
QWXZOFZKSQXPDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.3
TPSA
75.63
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
3.1
Consensus LogP
2.92
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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