![CAS 1072792-33-6 Carbamic acid, N-[(2R)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1072792-33-6.gif)
CAS RN: 1072792-33-6
Carbamic acid, N-[(2R)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester
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.20250414 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1072792-33-6
- Purity/Analytical Methods: >99.0%
1072792-33-6 / tert-butyl N-[(2R)-3-chloro-2-hydroxypropyl]carbamate
tert-Butyl (R)-(3-chloro-2-hydroxypropyl)carbamate | (R)-tert-butyl 3-chloro-2-hydroxypropylcarbamate | tert-butyl N-[(2R)-3-chloro-2-hydroxypropyl]carbamate
Basic Information
CAS
1072792-33-6
Multi CAS
No
Molecular Formula
C8H16ClNO3
Molecular Weight
209.670000
Exact Mass
209.081871
SMILES
CC(C)(C)OC(=O)NC[C@H](CCl)O
InChI
InChI=1S/C8H16ClNO3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h6,11H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1
InChIKey
BCERVHZUVNOSNR-LURJTMIESA-N
Synonyms
tert-Butyl (R)-(3-chloro-2-hydroxypropyl)carbamate
(R)-tert-butyl 3-chloro-2-hydroxypropylcarbamate
tert-butyl N-[(2R)-3-chloro-2-hydroxypropyl]carbamate
starbld0011885
SCHEMBL1224366
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.96
TPSA
58.56
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
0.9
Consensus LogP
1
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1072793-83-9 tert-butyl N-[2-(oxiran-2-yl)ethyl]carbamate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl N-[2-(oxiran-2-yl)ethyl]carbamate
- CAS RN: 1072793-83-9
- Product Code: SSC-008734
-
Carasinol D
- CAS RN: 1072797-66-0
- Product Code: starshine_CAS1072797-66-0
- Purity/Analytical method: >99.0%
-
-
(1,3-BENZOXAZOL-2-YLMETHYL)AMINE HYDROCHLORIDE
- CAS RN: 1072806-65-5
- Product Code: SSC-008736
-
(5R)-6,7-dihydro-2-(2,3,4,5,6-pentafluorophenyl)-5-(phenylmethyl)-5H-Pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate
- CAS RN: 1072808-07-1
- Product Code: SSC-008737
-
4-METHOXY-1H-INDOLE-2-BORONIC ACID PINACOL ESTER
- CAS RN: 1072811-21-2
- Product Code: SSC-008738
![CAS 1072793-83-9 tert-butyl N-[2-(oxiran-2-yl)ethyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1072793-83-9.gif)
![CAS 1072808-07-1 (5R)-6,7-dihydro-2-(2,3,4,5,6-pentafluorophenyl)-5-(phenylmethyl)-5H-Pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1072808-07-1.gif)
