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CAS 102185-38-6 BOC-ARG(MTS)-OH molecular structure lightbox
CAS RN: 102185-38-6

BOC-ARG(MTS)-OH

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260530 1g In stock Inquiry
Batchno.20250221 25g Out of stock Inquiry
Batchno.20260331 5g In stock Inquiry
  • Product code: SSC-003446
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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: 25g
  • 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 102185-38-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Shanghai Inquiry

102185-38-6 / (2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(S)-2-(tert-butoxycarbonylamino)-5-(3-(4-methoxy-2,3,6-trimethylphenylsulfonyl)guanidino)pentanoic acid | C21H34N4O7S | AKOS024374900

Standard CAS: 102185-38-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102185-38-6
Multi CAS
Yes
Molecular Formula
C21H34N4O7S
Molecular Weight
486.600000
Exact Mass
486.214821
SMILES
CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)N)C)C)OC
InChI
InChI=1S/C21H34N4O7S/c1-12-11-16(31-7)13(2)14(3)17(12)33(29,30)25-19(22)23-10-8-9-15(18(26)27)24-20(28)32-21(4,5)6/h11,15H,8-10H2,1-7H3,(H,24,28)(H,26,27)(H3,22,23,25)/t15-/m0/s1
InChIKey
CXZHJRGYWGPJSD-HNNXBMFYSA-N
Synonyms
(S)-2-(tert-butoxycarbonylamino)-5-(3-(4-methoxy-2,3,6-trimethylphenylsulfonyl)guanidino)pentanoic acid C21H34N4O7S AKOS024374900 ST51014908 Na-Boc-Nw-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-D-arginine

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
4
Molar refractivity
124.04
TPSA
169.41

LogP / Solubility

WLOGP
1.97
MLOGP
1.77
XLogP3
2.3
Consensus LogP
2.01
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-4.29

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
3

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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