Neothramycin A
TL;DR: Neothramycin A (CAS 59593-16-7) 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,9S)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Neothramycin A, Neothramycin, Antibiotic MC-916-A, C13-H14-N2-O4.1/2H2-O, (6aS,9S)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
| 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 | 59593-16-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC[C@@H]3O)C=N2)O |
| InChIKey | FXMOIYLVKOALHC-MADCSZMMSA-N |
Product Overview
Neothramycin A (CAS 59593-16-7), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: (6aS,9S)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of Neothramycin A
Property Insights of Neothramycin A
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neothramycin A. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Neothramycin A. Following Lipinski's Rule of Five, Neothramycin A 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 A?
The CAS number of Neothramycin A is 59593-16-7.
What is the molecular formula of Neothramycin A?
The molecular formula of Neothramycin A is C13H14N2O4.
What is the molecular weight of Neothramycin A?
The molecular weight of Neothramycin A is 262.10 g/mol.
Where can I buy Neothramycin A?
You can request a quote for Neothramycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neothramycin A?
Yes, KEHONG BIO provides custom synthesis services for Neothramycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.