KT-8391 Free Base
TL;DR: KT-8391 Free Base (CAS 706754-99-6) is a chemical compound with molecular formula C36H40N6O6 and molecular weight 652.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(15S,16S,18R)-16-methoxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-yl]methyl 3-[[(2S)-2,6-diaminohexanoyl]amino]propanoate
Also Known As: KT-8391 Free Base, J2.032.164D, [(15S,16S,18R)-16-methoxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1(26),2(6),7(27),8(13),9,11,20,22,24-nonaen-16-yl]methyl 3-[(2S)-2,6-diaminohexanamido]propanoate, beta-Alanine, L-lysyl-, [(9S,10S,12R)-2,3,9,10,11,12-hexahydro-10-methoxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-10-yl]methyl ester, L-Lys-betaAla-OH[(9S,10S,12R)-2,3,9,10,11,12-Hexahydro-10-methoxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3 ,2 ,1 -kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-yl]methyl
| Molecular Formula | C36H40N6O6 |
|---|---|
| Molecular Weight | 652.30 g/mol |
| LogP | 3.642 |
| Topological Polar Surface Area | 164.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 652.3009 |
| Heavy Atoms | 48 |
| Complexity | 2153.2632 |
Chemical Identifiers
| CAS Number | 706754-99-6 |
|---|---|
| SMILES | C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(COC(=O)CCNC(=O)[C@H](CCCCN)N)OC |
Product Overview
KT-8391 Free Base (CAS 706754-99-6), with molecular formula C36H40N6O6 and molecular weight 652.30 g/mol. IUPAC: [(15S,16S,18R)-16-methoxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-yl]methyl 3-[[(2S)-2,6-diaminohexanoyl]amino]propanoate.
Chemical Property Profile of KT-8391 Free Base
Property Insights of KT-8391 Free Base
The XLogP value of 3.642 indicates that KT-8391 Free Base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.86 Ų indicates high polarity, suggesting KT-8391 Free Base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KT-8391 Free Base has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KT-8391 Free Base?
The CAS number of KT-8391 Free Base is 706754-99-6.
What is the molecular formula of KT-8391 Free Base?
The molecular formula of KT-8391 Free Base is C36H40N6O6.
What is the molecular weight of KT-8391 Free Base?
The molecular weight of KT-8391 Free Base is 652.30 g/mol.
Where can I buy KT-8391 Free Base?
You can request a quote for KT-8391 Free Base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KT-8391 Free Base?
Yes, KEHONG BIO provides custom synthesis services for KT-8391 Free Base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.