[email protected]
CAS 370094-12-5 (2S,3S)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one 1-oxide molecular structure lightbox
CAS RN: 370094-12-5

(2S,3S)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one 1-oxide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS370094-12-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

370094-12-5 / [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-1,4-dioxo-2,3-dihydro-1lambda4,5-benzothiazepin-3-yl] acetate

Standard CAS: 370094-12-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
370094-12-5
Multi CAS
Yes
Molecular Formula
C22H26N2O5S
Molecular Weight
430.500000
Exact Mass
430.156243
InChI
InChI=1S/C22H26N2O5S/c1-15(25)29-20-21(16-9-11-17(28-4)12-10-16)30(27)19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+,30?/m1/s1
InChIKey
ZHSTYLQHFVBOIN-SBCWPUQDSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
115.05
TPSA
76.15

LogP / Solubility

WLOGP
2.38
MLOGP
2.13
XLogP3
1.8
Consensus LogP
2.1
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us