Biotin-1012-S
TL;DR: Biotin-1012-S (CAS 127709-42-6) is a chemical compound with molecular formula C35H41Cl2N9O4S and molecular weight 753.2379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide
Also Known As: Biotin-1012-S, Biotinylated 1012-S conjugate, N-[2-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide, Biotin-(N-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-4H(1,2,4)triazolo(3,4-a)(1,4)benzodiazepine-2-carboxamide) conjugate, 4H-(1,2,3)Triazolo(1,5-a)(1,4)benzodiazepine-2-carboxamide, 8-chloro-6-(2-chlorophenyl)-N-(2-((6-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)-1-oxohexyl)amino)ethyl)-, (3aS-(3aalpha,4beta,6aalpha))-
Technical Specifications
| Molecular Formula | C35H41Cl2N9O4S |
| Molecular Weight | 753.2379 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 753.2379 Da |
| Heavy Atoms | 51 |
| Complexity | 1270.0 |
| SMILES | C1[C@@H]2[C@H](C(S1)CCCCC(=O)NCCCCCC(=O)NCCNC(=O)C3=NN4C(=N3)CN=C(C5=C4C=CC(=C5)Cl)C6=CC=CC=C6Cl)NC(=O)N2 |
| InChIKey | SXTLJMUARFSGPQ-PMGCIOSOSA-N |
Chemical Property Profile of Biotin-1012-S
Property Insights of Biotin-1012-S
The XLogP value of 3.8 indicates that Biotin-1012-S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting Biotin-1012-S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Biotin-1012-S has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Biotin-1012-S?
The CAS number of Biotin-1012-S is 127709-42-6.
What is the molecular formula of Biotin-1012-S?
The molecular formula of Biotin-1012-S is C35H41Cl2N9O4S.
What is the molecular weight of Biotin-1012-S?
The molecular weight of Biotin-1012-S is 753.2379 g/mol.
Where can I buy Biotin-1012-S?
You can request a quote for Biotin-1012-S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Biotin-1012-S?
Yes, CoreyChem provides custom synthesis services for Biotin-1012-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.