CAS RN: 1949837-12-0
ARV-771
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 100mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20260208 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251121 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250401 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260328 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260430 | 50mg | In stock | Shanghai, Chengdu | Inquiry |
- Product code: starshine_CAS1949837-12-0
- Purity/Analytical Methods: >99.0%
1949837-12-0 / (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Basic Information
CAS
1949837-12-0
Multi CAS
No
Molecular Formula
C49H60ClN9O7S2
Molecular Weight
986.600000
Exact Mass
985.374565
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C
InChI
InChI=1S/C49H60ClN9O7S2/c1-27-30(4)68-48-41(27)42(33-14-16-35(50)17-15-33)54-37(45-57-56-31(5)59(45)48)23-39(61)51-18-21-65-19-9-20-66-25-40(62)55-44(49(6,7)8)47(64)58-24-36(60)22-38(58)46(63)53-28(2)32-10-12-34(13-11-32)43-29(3)52-26-67-43/h10-17,26,28,36-38,44,60H,9,18-25H2,1-8H3,(H,51,61)(H,53,63)(H,55,62)/t28-,36+,37-,38-,44+/m0/s1
InChIKey
PQOGZKGXGLHDGS-QQRWPDCKSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Aromatic heavy atom count
27
Fraction Csp3
0.47
Rotatable bonds
18
H-bond acceptors
14
H-bond donors
4
Molar refractivity
263.52
TPSA
202.26
LogP / Solubility
WLOGP
6.53
MLOGP
5.84
XLogP3
5.9
Consensus LogP
6.09
Log S (ESOL)
-9.18
Class (ESOL)
Insoluble
Log S (Ali)
-12.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.65
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)
-4.1
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
8.5
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