6-Bromosangivamycin
TL;DR: 6-Bromosangivamycin (CAS 685901-63-7) is a chemical compound with molecular formula C12H14BrN5O5 and molecular weight 387.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Also Known As: 6-Bromosangivamycin, 4-amino-6-bromo-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-Amino-6-bromo-7-ribosylpyrrolo(2,3-d)-pyrimidine-5-carboxamide, 4-Amino-6-bromo-7-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-Amino-6-bromo-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid
| Molecular Formula | C12H14BrN5O5 |
|---|---|
| Molecular Weight | 387.02 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.01782 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 685901-63-7 |
|---|---|
| SMILES | C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)Br)C(=O)N)N |
| InChIKey | DMXIHKQKBYZIHM-UHFFFAOYSA-N |
Product Overview
6-Bromosangivamycin (CAS 685901-63-7), with molecular formula C12H14BrN5O5 and molecular weight 387.02 g/mol. IUPAC: 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.
Chemical Property Profile of 6-Bromosangivamycin
Property Insights of 6-Bromosangivamycin
The XLogP value of -1.4 indicates that 6-Bromosangivamycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting 6-Bromosangivamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Bromosangivamycin has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Bromosangivamycin?
The CAS number of 6-Bromosangivamycin is 685901-63-7.
What is the molecular formula of 6-Bromosangivamycin?
The molecular formula of 6-Bromosangivamycin is C12H14BrN5O5.
What is the molecular weight of 6-Bromosangivamycin?
The molecular weight of 6-Bromosangivamycin is 387.02 g/mol.
Where can I buy 6-Bromosangivamycin?
You can request a quote for 6-Bromosangivamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromosangivamycin?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromosangivamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.