biotin-36-dc7ATP
TL;DR: biotin-36-dc7ATP (CAS 147958-08-5) is a chemical compound with molecular formula C48H80N9O22P3S and molecular weight 1259.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-[4-amino-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Biotin-36-dc7ATP, [[5-[4-amino-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, Triphosphoric acid, P-5'-ester with N-(35-(4-amino-7-(2-deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)-6,13-dioxo-17,20,23,26,29,32-hexaoxa-7,14-diazapentatricont-34-yn-1-yl)hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanamide, (3aS-(3aalpha,4beta,6aalpha))-
| Molecular Formula | C48H80N9O22P3S |
|---|---|
| Molecular Weight | 1259.44 g/mol |
| LogP | 1.6515 |
| Topological Polar Surface Area | 429.82 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 44 |
| Exact Mass | 1259.4352 |
| Heavy Atoms | 83 |
| Complexity | 2542.7124 |
Chemical Identifiers
| CAS Number | 147958-08-5 |
|---|---|
| SMILES | C1C(C(OC1N2C=C(C3=C(N=CN=C32)N)C#CCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
Product Overview
biotin-36-dc7ATP (CAS 147958-08-5), with molecular formula C48H80N9O22P3S and molecular weight 1259.44 g/mol. IUPAC: [[5-[4-amino-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of biotin-36-dc7ATP
Property Insights of biotin-36-dc7ATP
The XLogP value of 1.6515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for biotin-36-dc7ATP. The TPSA of 429.82 Ų indicates high polarity, suggesting biotin-36-dc7ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, biotin-36-dc7ATP has 11 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of biotin-36-dc7ATP?
The CAS number of biotin-36-dc7ATP is 147958-08-5.
What is the molecular formula of biotin-36-dc7ATP?
The molecular formula of biotin-36-dc7ATP is C48H80N9O22P3S.
What is the molecular weight of biotin-36-dc7ATP?
The molecular weight of biotin-36-dc7ATP is 1259.44 g/mol.
Where can I buy biotin-36-dc7ATP?
You can request a quote for biotin-36-dc7ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for biotin-36-dc7ATP?
Yes, KEHONG BIO provides custom synthesis services for biotin-36-dc7ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.