CAS RN: 185698-23-1
MCA-PRO-LEU-GLY-PRO-D-LYS(DNP)-OH
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250908 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250827 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250331 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250310 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20250529 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS185698-23-1
- Purity/Analytical Methods: >99.0%
185698-23-1 / (2R)-6-(2,4-dinitroanilino)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-(7-methoxy-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
Basic Information
CAS
185698-23-1
Multi CAS
No
Molecular Formula
C42H52N8O14
Molecular Weight
892.900000
Exact Mass
892.360298
SMILES
CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)CC4=CC(=O)OC5=C4C=CC(=C5)OC
InChI
InChI=1S/C42H52N8O14/c1-24(2)18-31(46-41(56)32-9-6-16-47(32)36(51)19-25-20-38(53)64-35-22-27(63-3)12-13-28(25)35)39(54)44-23-37(52)48-17-7-10-33(48)40(55)45-30(42(57)58)8-4-5-15-43-29-14-11-26(49(59)60)21-34(29)50(61)62/h11-14,20-22,24,30-33,43H,4-10,15-19,23H2,1-3H3,(H,44,54)(H,45,55)(H,46,56)(H,57,58)/t30-,31+,32+,33+/m1/s1
InChIKey
JYCBGGJXIFZMBU-GJBCSVNNSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
21
H-bond acceptors
14
H-bond donors
5
Molar refractivity
228.26
TPSA
302.97
LogP / Solubility
WLOGP
2.64
MLOGP
2.41
XLogP3
3.8
Consensus LogP
2.95
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.18
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)
-6.29
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
7
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