CAS RN: 918629-48-8
Transdermal Peptide
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.20251225 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS918629-48-8
- Purity/Analytical Methods: >99.0%
918629-48-8 / 2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
Basic Information
CAS
918629-48-8
Multi CAS
Yes
Molecular Formula
C40H66N14O16S2
Molecular Weight
1063.200000
Exact Mass
1062.422264
InChI
InChI=1S/C40H66N14O16S2/c1-19(42)31(61)52-28(17-72)38(68)49-23(12-55)36(66)48-24(13-56)37(67)51-26(15-58)40(70)54-8-4-6-29(54)39(69)50-25(14-57)35(65)46-21(5-2-3-7-41)33(63)47-22(9-20-10-43-18-45-20)34(64)53-27(16-71)32(62)44-11-30(59)60/h10,18-19,21-29,55-58,71-72H,2-9,11-17,41-42H2,1H3,(H,43,45)(H,44,62)(H,46,65)(H,47,63)(H,48,66)(H,49,68)(H,50,69)(H,51,67)(H,52,61)(H,53,64)(H,59,60)/t19-,21-,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
InChIKey
VZSOFTZGUUIGND-CSWQFBTDSA-N
Computed Properties
Structural Parameters
Heavy atom count
72
Aromatic heavy atom count
5
Fraction Csp3
0.65
Rotatable bonds
32
H-bond acceptors
20
H-bond donors
19
Molar refractivity
255.72
TPSA
481.15
LogP / Solubility
WLOGP
-9.67
MLOGP
-8.41
XLogP3
-10.5
Consensus LogP
-9.53
Log S (ESOL)
1.72
Class (ESOL)
Highly soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-16.07
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
9
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