C-1027
TL;DR: C-1027 (CAS 120177-69-7) is a chemical compound with molecular formula C43H42ClN3O13 and molecular weight 843.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,7S,12R,13E,20R)-7-amino-4-chloro-20-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.23,6.016,20]pentacosa-3(25),4,6(24),13(23),16,18-hexaen-14,21-diyn-12-yl] 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylate
Also Known As: lidamycin, Antibiotic C-1027, C1027 chromoprotein, C-1027 Chromophore, C-1027
| Molecular Formula | C43H42ClN3O13 |
|---|---|
| Molecular Weight | 843.24 g/mol |
| LogP | 2.8038 |
| Topological Polar Surface Area | 217.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 843.2406 |
| Heavy Atoms | 60 |
| Complexity | 2361.2642 |
Chemical Identifiers
| CAS Number | 120177-69-7 |
|---|---|
| SMILES | CC1([C@H]([C@H]([C@H]([C@@H](O1)O[C@]23C=CC=C2C#C/C/4=C\C#C[C@H]3OC5=C(C=C(C=C5Cl)[C@H](CC(=O)OC[C@@H]4OC(=O)C6=C7C(=CC(=C6)OC)OC(=C)C(=O)N7)N)O)O)O)N(C)C)C |
Product Overview
C-1027 (CAS 120177-69-7), with molecular formula C43H42ClN3O13 and molecular weight 843.24 g/mol. IUPAC: [(1R,7S,12R,13E,20R)-7-amino-4-chloro-20-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.23,6.016,20]pentacosa-3(25),4,6(24),13(23),16,18-hexaen-14,21-diyn-12-yl] 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylate.
Chemical Property Profile of C-1027
Property Insights of C-1027
The XLogP value of 2.8038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C-1027. The TPSA of 217.8 Ų indicates high polarity, suggesting C-1027 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C-1027 has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C-1027?
The CAS number of C-1027 is 120177-69-7.
What is the molecular formula of C-1027?
The molecular formula of C-1027 is C43H42ClN3O13.
What is the molecular weight of C-1027?
The molecular weight of C-1027 is 843.24 g/mol.
Where can I buy C-1027?
You can request a quote for C-1027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C-1027?
Yes, KEHONG BIO provides custom synthesis services for C-1027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.