![CAS 886990-59-6 (9H-fluoren-9-yl)methyl N-[2-(hydroxymethyl)phenyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886990-59-6.gif)
CAS RN: 886990-59-6
(9H-fluoren-9-yl)methyl N-[2-(hydroxymethyl)phenyl]carbamate
- Product code: SSC-200183
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 |
886990-59-6 / 9H-fluoren-9-ylmethyl N-[2-(hydroxymethyl)phenyl]carbamate
Basic Information
CAS
886990-59-6
Multi CAS
No
Molecular Formula
C22H19NO3
Molecular Weight
345.400000
Exact Mass
345.136493
InChI
InChI=1S/C22H19NO3/c24-13-15-7-1-6-12-21(15)23-22(25)26-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,24H,13-14H2,(H,23,25)
InChIKey
HTYQZDJJJCVONI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.06
TPSA
58.56
LogP / Solubility
WLOGP
4.54
MLOGP
4.01
XLogP3
4.3
Consensus LogP
4.28
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
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
No
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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