7-i-Propoxy-7-demethoxymitomycin B
TL;DR: 7-i-Propoxy-7-demethoxymitomycin B (CAS 99901-08-3) is a chemical compound with molecular formula C19H25N3O6 and molecular weight 391.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-7-methoxy-5,12-dimethyl-10,13-dioxo-11-propan-2-yloxy-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: 7-i-Propoxy-7-demethoxymitomycin B, 1a,6-Dimethyl-9-(hydroxymethyl)-7-isopropoxymitosane carbamate, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-1,5-dimethyl-8-(hydroxymethyl)-8a-methoxy-6-isopropoxy-, carbamate, {(8S,8aR)-8a-Methoxy-1,5-dimethyl-4,7-dioxo-6-[(propan-2-yl)oxy]-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl hydrogen carbonimidate, {8a-Methoxy-1,5-dimethyl-4,7-dioxo-6-[(propan-2-yl)oxy]-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl hydrogen carbonimidate
| Molecular Formula | C19H25N3O6 |
|---|---|
| Molecular Weight | 391.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.17435 |
| Heavy Atoms | 28 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 99901-08-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4C)OC(C)C |
| InChIKey | KFPYVXVZHSDPFY-LWBGYFDBSA-N |
Product Overview
7-i-Propoxy-7-demethoxymitomycin B (CAS 99901-08-3), with molecular formula C19H25N3O6 and molecular weight 391.17 g/mol. IUPAC: [(7R,8S)-7-methoxy-5,12-dimethyl-10,13-dioxo-11-propan-2-yloxy-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
Chemical Property Profile of 7-i-Propoxy-7-demethoxymitomycin B
Property Insights of 7-i-Propoxy-7-demethoxymitomycin B
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-i-Propoxy-7-demethoxymitomycin B. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-i-Propoxy-7-demethoxymitomycin B. Following Lipinski's Rule of Five, 7-i-Propoxy-7-demethoxymitomycin B has 1 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 7-i-Propoxy-7-demethoxymitomycin B?
The CAS number of 7-i-Propoxy-7-demethoxymitomycin B is 99901-08-3.
What is the molecular formula of 7-i-Propoxy-7-demethoxymitomycin B?
The molecular formula of 7-i-Propoxy-7-demethoxymitomycin B is C19H25N3O6.
What is the molecular weight of 7-i-Propoxy-7-demethoxymitomycin B?
The molecular weight of 7-i-Propoxy-7-demethoxymitomycin B is 391.17 g/mol.
Where can I buy 7-i-Propoxy-7-demethoxymitomycin B?
You can request a quote for 7-i-Propoxy-7-demethoxymitomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-i-Propoxy-7-demethoxymitomycin B?
Yes, KEHONG BIO provides custom synthesis services for 7-i-Propoxy-7-demethoxymitomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.