10,11-Dihydroneothramycin B
TL;DR: 10,11-Dihydroneothramycin B (CAS 72274-97-6) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 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-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 10,11-Dihydroneothramycin B, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-3,8-dihydroxy-7-methoxy-, (3R-cis)-, (3r-cis)-1,2,3,10,11,11a-hexahydro-3,8-dihydroxy-7-methoxy-5h-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, (6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 72274-97-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC[C@H]3O)CN2)O |
| InChIKey | RGLHUTLVRQIRSK-JVXZTZIISA-N |
Product Overview
10,11-Dihydroneothramycin B (CAS 72274-97-6), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: (6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of 10,11-Dihydroneothramycin B
Property Insights of 10,11-Dihydroneothramycin B
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10,11-Dihydroneothramycin B. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 10,11-Dihydroneothramycin B. Following Lipinski's Rule of Five, 10,11-Dihydroneothramycin B has 3 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 10,11-Dihydroneothramycin B?
The CAS number of 10,11-Dihydroneothramycin B is 72274-97-6.
What is the molecular formula of 10,11-Dihydroneothramycin B?
The molecular formula of 10,11-Dihydroneothramycin B is C13H16N2O4.
What is the molecular weight of 10,11-Dihydroneothramycin B?
The molecular weight of 10,11-Dihydroneothramycin B is 264.11 g/mol.
Where can I buy 10,11-Dihydroneothramycin B?
You can request a quote for 10,11-Dihydroneothramycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10,11-Dihydroneothramycin B?
Yes, KEHONG BIO provides custom synthesis services for 10,11-Dihydroneothramycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.