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CAS 144373-70-6 N,N’-bis[(tert-butyloxy)carbonyl]-L-hoMocystine diMethyl ester molecular structure lightbox
CAS RN: 144373-70-6

N,N’-bis[(tert-butyloxy)carbonyl]-L-hoMocystine diMethyl ester

  • Product code: SSC-055589
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 9
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 144373-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g -- 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry
25g -- 0 Out of Stock Shenzhen Inquiry

144373-70-6 / methyl (2S)-4-[[(3S)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Standard CAS: 144373-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144373-70-6
Multi CAS
No
Molecular Formula
C20H36N2O8S2
Molecular Weight
496.600000
Exact Mass
496.191308
SMILES
CC(C)(C)OC(=O)N[C@@H](CCSSCC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C20H36N2O8S2/c1-19(2,3)29-17(25)21-13(15(23)27-7)9-11-31-32-12-10-14(16(24)28-8)22-18(26)30-20(4,5)6/h13-14H,9-12H2,1-8H3,(H,21,25)(H,22,26)/t13-,14-/m0/s1
InChIKey
IXVFCNHFBRIZNT-KBPBESRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.8
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
2
Molar refractivity
124.5
TPSA
129.26

LogP / Solubility

WLOGP
3.28
MLOGP
2.92
XLogP3
2.9
Consensus LogP
3.03
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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