[email protected]
CAS 22965-79-3 Methyl 7-Chloro-7-deoxy-1-thiolincosaMinide molecular structure lightbox
CAS RN: 22965-79-3

Methyl 7-Chloro-7-deoxy-1-thiolincosaMinide

  • Product code: SSC-111646
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: 0.25g, 1g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 22965-79-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Beijing Inquiry

22965-79-3 / 2-(1-amino-2-chloropropyl)-6-methylsulfanyloxane-3,4,5-triol

Standard CAS: 22965-79-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22965-79-3
Multi CAS
No
Molecular Formula
C9H18ClNO4S
Molecular Weight
271.760000
Exact Mass
271.064507
SMILES
CC(C(C1C(C(C(C(O1)SC)O)O)O)N)Cl
InChI
InChI=1S/C9H18ClNO4S/c1-3(10)4(11)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,12-14H,11H2,1-2H3/t3-,4+,5-,6+,7+,8+,9+/m0/s1
InChIKey
TVVQUVMUAMNLLX-WCFBUKAXSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
63.49
TPSA
95.94

LogP / Solubility

WLOGP
-0.89
MLOGP
-0.77
XLogP3
-0.4
Consensus LogP
-0.69
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-5.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us