CAS RN: 342603-20-7
Carbamic acid, (5-fluoro-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
- Product code: SSC-140535
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
342603-20-7 / tert-butyl N-(5-fluoro-3-pyridinyl)carbamate
Basic Information
CAS
342603-20-7
Multi CAS
No
Molecular Formula
C10FH13N2O2
Molecular Weight
212.220000
Exact Mass
212.096106
InChI
InChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)13-8-4-7(11)5-12-6-8/h4-6H,1-3H3,(H,13,14)
InChIKey
BKYBFDYKYQPBIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.05
TPSA
51.22
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
1.5
Consensus LogP
2.11
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 342603-65-0 Carbamic acid, N-[2-(methoxymethylamino)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Carbamic acid, N-[2-(methoxymethylamino)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
- CAS RN: 342603-65-0
- Product Code: SSC-140536
-
AMITRIPTYLINE-D3 HCL (N-METHYL-D3)
- CAS RN: 342611-00-1
- Product Code: starshine_CAS342611-00-1
- Purity/Analytical method: >99.0%
-
2-AMINOETHANE-D4-SULFONIC ACID
- CAS RN: 342611-14-7
- Product Code: starshine_CAS342611-14-7
- Purity/Analytical method: >99.0%
-
(S)-2-BENZYLOXYCARBONYLAMINO-4,4-DIFLUORO-BUTYRIC ACID METHYL ESTER
- CAS RN: 342612-83-3
- Product Code: starshine_CAS342612-83-3
- Purity/Analytical method: >99.0%
-
methyl 3-bromoH-imidazo[1,2-a]pyridine-7-carboxylate
- CAS RN: 342613-63-2
- Product Code: SSC-140538
-
![CAS 342603-65-0 Carbamic acid, N-[2-(methoxymethylamino)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/342603-65-0.gif)
![CAS 342613-63-2 methyl 3-bromoH-imidazo[1,2-a]pyridine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/342613-63-2.gif)
![CAS 342613-67-6 3-BROMO-7-CHLOROIMIDAZO [1,2-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/342613-67-6.gif)