[email protected]
CAS 790305-05-4 ITMN 4077 molecular structure lightbox
CAS RN: 790305-05-4

ITMN 4077

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS790305-05-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

790305-05-4 / tert-butyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-hydroxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Standard CAS: 790305-05-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
790305-05-4
Multi CAS
Yes
Molecular Formula
C26H40N4O8S
Molecular Weight
568.700000
Exact Mass
568.256685
InChI
InChI=1S/C26H40N4O8S/c1-25(2,3)38-24(35)27-19-10-8-6-4-5-7-9-16-14-26(16,23(34)29-39(36,37)18-11-12-18)28-21(32)20-13-17(31)15-30(20)22(19)33/h7,9,16-20,31H,4-6,8,10-15H2,1-3H3,(H,27,35)(H,28,32)(H,29,34)/b9-7-/t16-,17-,19+,20+,26-/m1/s1
InChIKey
MXGKXZHTCMUVEE-JXUUZEIMSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
140.57
TPSA
171.21

LogP / Solubility

WLOGP
0.85
MLOGP
0.79
XLogP3
1.6
Consensus LogP
1.08
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Customers Also Viewed

Get In Touch

Contact Us