[email protected]
CAS 205639-90-3 3-ENDO-HYDROXYMETHYLBICYCLO[2.2.1!HEPT-5-ENYL-2-ENDO-AMINE, HYDROCHLORIDE, 97 molecular structure lightbox
CAS RN: 205639-90-3

3-ENDO-HYDROXYMETHYLBICYCLO[2.2.1!HEPT-5-ENYL-2-ENDO-AMINE, HYDROCHLORIDE, 97

  • Product code: SSC-096865
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 205639-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

205639-90-3 / [(1S,2R,3S,4R)-3-amino-2-bicyclo[2.2.1]hept-5-enyl]methanol;hydrochloride

Standard CAS: 205639-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205639-90-3
Multi CAS
No
Molecular Formula
C8H14ClNO
Molecular Weight
175.650000
Exact Mass
175.076392
SMILES
C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2CO)N.Cl
InChI
InChI=1S/C8H13NO.ClH/c9-8-6-2-1-5(3-6)7(8)4-10;/h1-2,5-8,10H,3-4,9H2;1H/t5-,6+,7-,8+;/m1./s1
InChIKey
VIAVFZWOASZJFH-ICDZOTBQSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.54
TPSA
46.25

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us