3-O-Methylneothramycin B
TL;DR: 3-O-Methylneothramycin B (CAS 59593-14-5) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 3-O-Methylneothramycin B, 1,2,3,11a-Tetrahydro-8-hydroxy-3,7-dimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one (3S-cis)-, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-8-hydroxy-3,7-dimethoxy-, (3S-cis)-, 8-Hydroxy-3,7-dimethoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, (3S,11aR)-8-hydroxy-3,7-dimethoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 59593-14-5 |
|---|---|
| SMILES | CO[C@H]1CC[C@H]2N1C(=O)C3=CC(=C(C=C3N=C2)O)OC |
| InChIKey | CCYWVMULTUKYAZ-OQPBUACISA-N |
Product Overview
3-O-Methylneothramycin B (CAS 59593-14-5), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: (6aR,9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of 3-O-Methylneothramycin B
Property Insights of 3-O-Methylneothramycin B
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-Methylneothramycin B. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Methylneothramycin B. Following Lipinski's Rule of Five, 3-O-Methylneothramycin B has 1 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 3-O-Methylneothramycin B?
The CAS number of 3-O-Methylneothramycin B is 59593-14-5.
What is the molecular formula of 3-O-Methylneothramycin B?
The molecular formula of 3-O-Methylneothramycin B is C14H16N2O4.
What is the molecular weight of 3-O-Methylneothramycin B?
The molecular weight of 3-O-Methylneothramycin B is 276.11 g/mol.
Where can I buy 3-O-Methylneothramycin B?
You can request a quote for 3-O-Methylneothramycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Methylneothramycin B?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Methylneothramycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.