CAS RN: 93438-65-4
CONANTOKIN G
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260214 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS93438-65-4
- Purity/Analytical Methods: >99.0%
93438-65-4 / 2-[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-[[6-amino-1-[[1-[(1,4-diamino-1,4-dioxobutan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]propanedioic acid
Basic Information
CAS
93438-65-4
Multi CAS
Yes
Molecular Formula
C88H138N26O44
Molecular Weight
2264.200000
Exact Mass
2262.936022
InChI
InChI=1S/C88H138N26O44/c1-7-34(6)61(77(138)103-41(12-10-20-98-88(96)97)63(124)107-48(23-35(78(139)140)79(141)142)69(130)100-40(11-8-9-19-89)64(125)113-54(31-115)76(137)104-45(62(95)123)28-57(93)118)114-75(136)47(22-33(4)5)106-70(131)49(24-36(80(143)144)81(145)146)109-67(128)44(14-17-56(92)117)102-74(135)53(29-58(94)119)112-73(134)51(26-38(84(151)152)85(153)154)110-66(127)43(13-16-55(91)116)101-68(129)46(21-32(2)3)105-71(132)52(27-39(86(155)156)87(157)158)111-72(133)50(25-37(82(147)148)83(149)150)108-65(126)42(15-18-60(121)122)99-59(120)30-90/h32-54,61,115H,7-31,89-90H2,1-6H3,(H2,91,116)(H2,92,117)(H2,93,118)(H2,94,119)(H2,95,123)(H,99,120)(H,100,130)(H,101,129)(H,102,135)(H,103,138)(H,104,137)(H,105,132)(H,106,131)(H,107,124)(H,108,126)(H,109,128)(H,110,127)(H,111,133)(H,112,134)(H,113,125)(H,114,136)(H,121,122)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,96,97,98)
InChIKey
HTBKFGWATIYCSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
158
Fraction Csp3
0.62
Rotatable bonds
81
H-bond acceptors
36
H-bond donors
38
Molar refractivity
524.89
TPSA
1225.52
LogP / Solubility
WLOGP
-16.27
MLOGP
-14.07
XLogP3
-18
Consensus LogP
-16.11
Log S (ESOL)
1.72
Class (ESOL)
Highly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.6
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-28.08
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
10
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