CAS RN: 1006388-38-0
Cenupatide
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.20250607 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1006388-38-0
- Purity/Analytical Methods: >99.0%
1006388-38-0 / (2S)-2-acetamido-N-[1-[[(2S)-1-[[(2S)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Cenupatide | Cenupatide [INN] | A92EH9EGL4
Basic Information
CAS
1006388-38-0
Multi CAS
Yes
Molecular Formula
C28H47N11O5
Molecular Weight
617.700000
Exact Mass
617.376164
SMILES
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(C)(C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@](C)(CC1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C28H47N11O5/c1-17(40)36-19(12-8-14-34-25(30)31)21(41)38-27(2,3)24(44)37-20(13-9-15-35-26(32)33)22(42)39-28(4,23(29)43)16-18-10-6-5-7-11-18/h5-7,10-11,19-20H,8-9,12-16H2,1-4H3,(H2,29,43)(H,36,40)(H,37,44)(H,38,41)(H,39,42)(H4,30,31,34)(H4,32,33,35)/t19-,20-,28-/m0/s1
InChIKey
JDNFBDNDFFJJIB-JVAKCPTJSA-N
Synonyms
Cenupatide
Cenupatide [INN]
A92EH9EGL4
UNII-A92EH9EGL4
L-PHENYLALANINAMIDE, N2-ACETYL-L-ARGINYL-2-METHYLALANYL-L-ARGINYL-.ALPHA.-METHYL-
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
9
Molar refractivity
167.47
TPSA
288.29
LogP / Solubility
WLOGP
-2.42
MLOGP
-2.08
XLogP3
-2.3
Consensus LogP
-2.27
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-8.21
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
5.5
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