CAS RN: 2829281-40-3
(S)-2-AMINO-2-(2-HYDROXYPHENYL)ACETIC ACID HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS2829281-40-3
- Purity/Analytical Methods: >99.0%
2829281-40-3 / (2S)-2-amino-2-(2-hydroxyphenyl)acetic acid;hydrochloride
Basic Information
CAS
2829281-40-3
Multi CAS
No
Molecular Formula
C8H10ClNO3
Molecular Weight
203.620000
Exact Mass
203.034921
InChI
InChI=1S/C8H9NO3.ClH/c9-7(8(11)12)5-3-1-2-4-6(5)10;/h1-4,7,10H,9H2,(H,11,12);1H/t7-;/m0./s1
InChIKey
DAQIOEDLFVEAKH-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
49.92
TPSA
83.55
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
0.9
Consensus LogP
0.86
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(R)-2-(4-Bromophenyl)pyrrolidine hydrochloride
- CAS RN: 2829281-55-0
- Product Code: SSC-129328
-
(R)-2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanamine hydrochloride
- CAS RN: 2829292-55-7
- Product Code: SSC-129335
-
(R)-2-Amino-2-(2-hydroxyphenyl)acetic acid hydrochloride
- CAS RN: 2829292-56-8
- Product Code: SSC-129336
-
(R)-Methyl 3-amino-3-(naphthalen-1-yl)propanoate hydrochloride
- CAS RN: 2829292-61-5
- Product Code: starshine_CAS2829292-61-5
- Purity/Analytical method: >99.0%
-
(R)-2-aMino-2-(3-broMophenyl)ethanol hydrochloride
- CAS RN: 2829292-62-6
- Product Code: starshine_CAS2829292-62-6
- Purity/Analytical method: >99.0%
-
(S)-tert-butyl azepan-3-ylcarbamate hydrochloride
- CAS RN: 2829292-66-0
- Product Code: SSC-129337
