![CAS 944283-22-1 (Tert-Butoxy)Carbonyl Ser((9H-Fluoren-9-yl)MethOxy]Carbonyl Arg(Pbf))-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944283-22-1.gif)
CAS RN: 944283-22-1
(Tert-Butoxy)Carbonyl Ser((9H-Fluoren-9-yl)MethOxy]Carbonyl Arg(Pbf))-OH
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS944283-22-1
- Purity/Analytical Methods: >99.0%
944283-22-1 / (2S)-3-[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
944283-22-1
Multi CAS
Yes
Molecular Formula
C43H55N5O11S
Molecular Weight
850.000000
Exact Mass
849.361879
InChI
InChI=1S/C42H53N5O11S/c1-23-24(2)35(25(3)30-20-42(7,8)57-34(23)30)59(53,54)47-38(43)44-19-13-18-32(37(50)55-22-33(36(48)49)46-40(52)58-41(4,5)6)45-39(51)56-21-31-28-16-11-9-14-26(28)27-15-10-12-17-29(27)31/h9-12,14-17,31-33H,13,18-22H2,1-8H3,(H,45,51)(H,46,52)(H,48,49)(H3,43,44,47)/t32-,33-/m0/s1
InChIKey
HTCWPXLOEAMBFJ-LQJZCPKCSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
18
Fraction Csp3
0.47
Rotatable bonds
14
H-bond acceptors
11
H-bond donors
5
Molar refractivity
223.47
TPSA
234.04
LogP / Solubility
WLOGP
5.52
MLOGP
4.93
XLogP3
6.1
Consensus LogP
5.52
Log S (ESOL)
-7.88
Class (ESOL)
Insoluble
Log S (Ali)
-10.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.99
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
6
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