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CAS 1610413-97-2 2-(4-((9S,13S)-9,13-Bis(Tert-Butoxycarbonyl)-18,18-Dimethyl-3,11,16-Trioxo-17-Oxa-2,4,10,12-Tetraazanonadecyl)Phenyl)Acetic Acid molecular structure lightbox
CAS RN: 1610413-97-2

2-(4-((9S,13S)-9,13-Bis(Tert-Butoxycarbonyl)-18,18-Dimethyl-3,11,16-Trioxo-17-Oxa-2,4,10,12-Tetraazanonadecyl)Phenyl)Acetic Acid

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250822 25mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250312 100mg In stock Shanghai Inquiry
Batchno.20260526 10mg In stock Shanghai Inquiry
Batchno.20260301 250mg In stock Shanghai Inquiry
Batchno.20260624 25mg In stock Shanghai Inquiry
Batchno.20250625 2mg In stock Shanghai Inquiry
Batchno.20251214 50mg In stock Shanghai Inquiry
Batchno.20250325 5mg In stock Shanghai Inquiry
  • Product code: SSC-068788
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1610413-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1610413-97-2 / 2-[4-[[[(5S)-5-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]carbamoylamino]methyl]phenyl]acetic acid

Standard CAS: 1610413-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1610413-97-2
Multi CAS
No
Molecular Formula
C34H54N4O10
Molecular Weight
678.800000
Exact Mass
678.383994
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@@H](CCCCNC(=O)NCC1=CC=C(C=C1)CC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C34H54N4O10/c1-32(2,3)46-27(41)18-17-25(29(43)48-34(7,8)9)38-31(45)37-24(28(42)47-33(4,5)6)12-10-11-19-35-30(44)36-21-23-15-13-22(14-16-23)20-26(39)40/h13-16,24-25H,10-12,17-21H2,1-9H3,(H,39,40)(H2,35,36,44)(H2,37,38,45)/t24-,25-/m0/s1
InChIKey
IMNLHBFYVLUOKM-DQEYMECFSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
16
H-bond acceptors
9
H-bond donors
5
Molar refractivity
177.88
TPSA
198.46

LogP / Solubility

WLOGP
4.12
MLOGP
3.69
XLogP3
3.6
Consensus LogP
3.8
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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