CAS RN: 865368-30-5
Hirsutide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250130 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS865368-30-5
- Purity/Analytical Methods: >99.0%
865368-30-5 / (3S,6S,9S,12S)-3,6,12-tribenzyl-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Basic Information
CAS
865368-30-5
Multi CAS
No
Molecular Formula
C34H40N4O4
Molecular Weight
568.700000
Exact Mass
568.304956
InChI
InChI=1S/C34H40N4O4/c1-23(2)30-34(42)38(4)28(21-25-16-10-6-11-17-25)31(39)35-27(20-24-14-8-5-9-15-24)33(41)37(3)29(32(40)36-30)22-26-18-12-7-13-19-26/h5-19,23,27-30H,20-22H2,1-4H3,(H,35,39)(H,36,40)/t27-,28-,29-,30-/m0/s1
InChIKey
YJRWOFGXVILYEW-KRCBVYEFSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
162.25
TPSA
98.82
LogP / Solubility
WLOGP
3.01
MLOGP
2.69
XLogP3
5.1
Consensus LogP
3.6
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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