[email protected]
CAS 943816-63-5 Phenol, 5-(aminomethyl)-2-chloro- molecular structure lightbox
CAS RN: 943816-63-5

Phenol, 5-(aminomethyl)-2-chloro-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS943816-63-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

943816-63-5 / 5-(aminomethyl)-2-chlorophenol

Standard CAS: 943816-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
943816-63-5
Multi CAS
No
Molecular Formula
C7H8CLNO
Molecular Weight
157.600000
Exact Mass
157.029442
InChI
InChI=1S/C7H8ClNO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H,4,9H2
InChIKey
WNCRPZJAKKZECV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.01
TPSA
46.25

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.1
Consensus LogP
1.31
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us