Antibiotic LL-AB 664
TL;DR: Antibiotic LL-AB 664 (CAS 29266-98-6) is a chemical compound with molecular formula C18H30N8O8 and molecular weight 486.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[[2-(aminomethylideneamino)acetyl]-methylamino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
Also Known As: Antibiotic LL-AB 664, LL-AB 664, BD 12, J3.598.545J, 4H-Imidazo(4,5-c)pyridin-4-one, 1,3a,5,6,7,7a-hexahydro-2-((2-deoxy-2-(2-(formimidoylamino)-N-methylacetamido)-beta-D-gulopyranosyl)amino)-7-hydroxy-5-methyl-, 3'-carbamate
| Molecular Formula | C18H30N8O8 |
|---|---|
| Molecular Weight | 486.22 g/mol |
| LogP | -5.3 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.21866 |
| Heavy Atoms | 34 |
| Complexity | 856.0 |
Chemical Identifiers
| CAS Number | 29266-98-6 |
|---|---|
| SMILES | CN1C[C@H]([C@@H]2[C@@H](C1=O)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)N(C)C(=O)CN=CN)O |
| InChIKey | VMULEITVZASJMA-BBLFBTFMSA-N |
Product Overview
Antibiotic LL-AB 664 (CAS 29266-98-6), with molecular formula C18H30N8O8 and molecular weight 486.22 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[[2-(aminomethylideneamino)acetyl]-methylamino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate.
Chemical Property Profile of Antibiotic LL-AB 664
Property Insights of Antibiotic LL-AB 664
The XLogP value of -5.3 indicates that Antibiotic LL-AB 664 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 238.0 Ų indicates high polarity, suggesting Antibiotic LL-AB 664 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic LL-AB 664 has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antibiotic LL-AB 664?
The CAS number of Antibiotic LL-AB 664 is 29266-98-6.
What is the molecular formula of Antibiotic LL-AB 664?
The molecular formula of Antibiotic LL-AB 664 is C18H30N8O8.
What is the molecular weight of Antibiotic LL-AB 664?
The molecular weight of Antibiotic LL-AB 664 is 486.22 g/mol.
Where can I buy Antibiotic LL-AB 664?
You can request a quote for Antibiotic LL-AB 664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic LL-AB 664?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic LL-AB 664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.