CAS RN: 92169-45-4
NEUROMEDIN N
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250424 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS92169-45-4
- Purity/Analytical Methods: >99.0%
92169-45-4 / (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Basic Information
CAS
92169-45-4
Multi CAS
Yes
Molecular Formula
C38H63N7O8
Molecular Weight
745.900000
Exact Mass
745.473812
InChI
InChI=1S/C38H63N7O8/c1-7-23(5)31(36(50)42-29(38(52)53)20-22(3)4)43-34(48)28(21-25-14-16-26(46)17-15-25)41-35(49)30-13-11-19-45(30)37(51)32(24(6)8-2)44-33(47)27(40)12-9-10-18-39/h14-17,22-24,27-32,46H,7-13,18-21,39-40H2,1-6H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,52,53)/t23-,24-,27-,28-,29-,30-,31-,32-/m0/s1
InChIKey
RZMLVIHXZGQADB-YLUGYNJDSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
22
H-bond acceptors
9
H-bond donors
8
Molar refractivity
201.15
TPSA
246.28
LogP / Solubility
WLOGP
1.54
MLOGP
1.42
XLogP3
-0.7
Consensus LogP
0.75
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.17
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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