Neothramycin B
TL;DR: Neothramycin B (CAS 61272-71-7) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,9R)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Neothramycin B, neothramycinB, Neothramycin, C13H14N2O4.1/2H2O, C13-H14-N2-O4.1/2H2-O
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 61272-71-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC[C@H]3O)C=N2)O |
| InChIKey | FXMOIYLVKOALHC-JVXZTZIISA-N |
Product Overview
Neothramycin B (CAS 61272-71-7), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: (6aS,9R)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of Neothramycin B
Property Insights of Neothramycin B
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neothramycin B. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Neothramycin B. Following Lipinski's Rule of Five, Neothramycin B has 2 hydrogen bond donor(s) and 5 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 Neothramycin B?
The CAS number of Neothramycin B is 61272-71-7.
What is the molecular formula of Neothramycin B?
The molecular formula of Neothramycin B is C13H14N2O4.
What is the molecular weight of Neothramycin B?
The molecular weight of Neothramycin B is 262.10 g/mol.
Where can I buy Neothramycin B?
You can request a quote for Neothramycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neothramycin B?
Yes, KEHONG BIO provides custom synthesis services for Neothramycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.