LL AF283beta
TL;DR: LL AF283beta (CAS 135529-34-9) is a chemical compound with molecular formula C29H40N8O9 and molecular weight 644.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8S,11S,14S)-14-amino-11-[(2S)-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-hydroxypropyl]-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxylic acid
Also Known As: LL AF283beta, LL-AF283beta, (7R,8S,11S,14S)-14-amino-11-[(2S)-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-hydroxypropyl]-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxylic acid, (3R,4S,7S,10S)-10-amino-7-((S)-3-((S)-2-amino-5-guanidinopentanamido)-2-hydroxypropyl)-14,24,3-trihydroxy-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacycloundecaphane-4-carboxylic acid, (3R,4S,7S,10S)-10-Amino-7-[(2S)-3-{[(2S)-2-amino-5-(carbamimidoylamino)-1-hydroxypentylidene]amino}-2-hydroxypropyl]-1~4~,2~4~,3,6,9-pentahydroxy-5,8-diaza-1,2(1,3)-dibenzenacycloundecaphane-5,8-diene-4-carboxylic acid
| Molecular Formula | C29H40N8O9 |
|---|---|
| Molecular Weight | 644.29 g/mol |
| LogP | -4.9 |
| Topological Polar Surface Area | 322.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 644.2918 |
| Heavy Atoms | 46 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 135529-34-9 |
|---|---|
| SMILES | C1[C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C2=C(C=CC(=C2)C3=CC1=C(C=C3)O)O)O)C(=O)O)C[C@@H](CNC(=O)[C@H](CCCN=C(N)N)N)O)N |
| InChIKey | YEUPDZRSIWXIDG-CCXUQAHUSA-N |
Product Overview
LL AF283beta (CAS 135529-34-9), with molecular formula C29H40N8O9 and molecular weight 644.29 g/mol. IUPAC: (7R,8S,11S,14S)-14-amino-11-[(2S)-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-hydroxypropyl]-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxylic acid.
Chemical Property Profile of LL AF283beta
Property Insights of LL AF283beta
The XLogP value of -4.9 indicates that LL AF283beta is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 322.0 Ų indicates high polarity, suggesting LL AF283beta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LL AF283beta has 12 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LL AF283beta?
The CAS number of LL AF283beta is 135529-34-9.
What is the molecular formula of LL AF283beta?
The molecular formula of LL AF283beta is C29H40N8O9.
What is the molecular weight of LL AF283beta?
The molecular weight of LL AF283beta is 644.29 g/mol.
Where can I buy LL AF283beta?
You can request a quote for LL AF283beta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LL AF283beta?
Yes, KEHONG BIO provides custom synthesis services for LL AF283beta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.