LS 105790
TL;DR: LS 105790 (CAS 137734-07-7) is a chemical compound with molecular formula C72H95N3O19 and molecular weight 1305.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]amino]-3-phenylpropanoate
Also Known As: LS 105790, L-Phenylanine, N-(1-O-((3-beta,20-beta)-29-((2-methoxy-2-oxo-1-(phenylmethyl)ethyl)amino)-11,29-dioxoolean-12-en-3-yl)-2-O-(N-(2-methoxy-2-oxo-1-(phenylmethyl)ethyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronoyl)-, methyl ester, (S-(R*,R*))-, methyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]amino]-3-phenylpropanoate, methyl ((2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-5-(((2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carbonyl)-L-phenylalaninate
| Molecular Formula | C72H95N3O19 |
|---|---|
| Molecular Weight | 1305.66 g/mol |
| LogP | 4.6933 |
| Topological Polar Surface Area | 321.34 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 19 |
| Exact Mass | 1305.656 |
| Heavy Atoms | 94 |
| Complexity | 3298.905 |
Chemical Identifiers
| CAS Number | 137734-07-7 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)OC)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)N[C@@H](CC9=CC=CC=C9)C(=O)OC)O)O)O)C)(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC |
Product Overview
LS 105790 (CAS 137734-07-7), with molecular formula C72H95N3O19 and molecular weight 1305.66 g/mol. IUPAC: methyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]amino]-3-phenylpropanoate.
Chemical Property Profile of LS 105790
Property Insights of LS 105790
The XLogP value of 4.6933 indicates that LS 105790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 321.34 Ų indicates high polarity, suggesting LS 105790 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LS 105790 has 8 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LS 105790?
The CAS number of LS 105790 is 137734-07-7.
What is the molecular formula of LS 105790?
The molecular formula of LS 105790 is C72H95N3O19.
What is the molecular weight of LS 105790?
The molecular weight of LS 105790 is 1305.66 g/mol.
Where can I buy LS 105790?
You can request a quote for LS 105790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LS 105790?
Yes, KEHONG BIO provides custom synthesis services for LS 105790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.